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LOQ : Summary
Code ![](/pdbe/static/images/help.png)
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LOQ
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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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1-(4-methylphenyl)pyrrolidine-2,5-dione
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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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C11 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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189.211 Da
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SMILES ![](/pdbe/static/images/help.png)
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Type | Program | Version | Descriptor |
SMILES
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CACTVS |
3.385 |
Cc1ccc(cc1)N2C(=O)CCC2=O |
SMILES
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OpenEye OEToolkits |
2.0.7 |
Cc1ccc(cc1)N2C(=O)CCC2=O |
Canonical SMILES
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CACTVS |
3.385 |
Cc1ccc(cc1)N2C(=O)CCC2=O |
Canonical SMILES
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OpenEye OEToolkits |
2.0.7 |
Cc1ccc(cc1)N2C(=O)CCC2=O |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C11H11NO2/c1-8-2-4-9(5-3-8)12-10(13)6-7-11(12)14/h2-5H,6-7H2,1H3 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | IDSFKFXFMNGXCK-UHFFFAOYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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25 (14 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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2019-08-30
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Last modified at ![](/pdbe/static/images/help.png)
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2019-09-27
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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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