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YEY : Summary
Code ![](/pdbe/static/images/help.png)
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YEY
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One-letter code ![](/pdbe/static/images/help.png)
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X
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Molecule name ![](/pdbe/static/images/help.png)
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2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrrole
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Systematic names ![](/pdbe/static/images/help.png)
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Formula ![](/pdbe/static/images/help.png)
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C12 H11 N O2
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Formal charge ![](/pdbe/static/images/help.png)
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0
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Molecular weight ![](/pdbe/static/images/help.png)
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201.221 Da
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SMILES ![](/pdbe/static/images/help.png)
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
12.01 |
c1c(ccc2c1OCCO2)c3cccn3 |
SMILES
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CACTVS |
3.385 |
C1COc2cc(ccc2O1)c3[nH]ccc3 |
SMILES
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OpenEye OEToolkits |
2.0.7 |
c1cc([nH]c1)c2ccc3c(c2)OCCO3 |
Canonical SMILES
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CACTVS |
3.385 |
C1COc2cc(ccc2O1)c3[nH]ccc3 |
Canonical SMILES
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OpenEye OEToolkits |
2.0.7 |
c1cc([nH]c1)c2ccc3c(c2)OCCO3 |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C12H11NO2/c1-2-10(13-5-1)9-3-4-11-12(8-9)15-7-6-14-11/h1-5,8,13H,6-7H2 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | DDNMUDQYOUUNRW-UHFFFAOYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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26 (15 without Hydrogen)
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Polymer type ![](/pdbe/static/images/help.png)
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Bound ligand
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Type description ![](/pdbe/static/images/help.png)
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non-polymer
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Type code ![](/pdbe/static/images/help.png)
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HETAIN
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Is modified ![](/pdbe/static/images/help.png)
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No
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Standard parent ![](/pdbe/static/images/help.png)
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Not Assigned
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Defined at ![](/pdbe/static/images/help.png)
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2021-02-24
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Last modified at ![](/pdbe/static/images/help.png)
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2021-05-21
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Status ![](/pdbe/static/images/help.png)
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Released
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Obsoleted ![](/pdbe/static/images/help.png)
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Not Assigned
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