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5RO : Summary

Code

5RO

One-letter code

X

Molecule name

1-(7-methyl-1~{H}-indol-3-yl)ethanone

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.4 1-(7-methyl-1~{H}-indol-3-yl)ethanone

Formula

C11 H11 N O

Formal charge

0

Molecular weight

173.211 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 CC(=O)c1c[nH]c2c(C)cccc12
SMILES OpenEye OEToolkits 2.0.4 Cc1cccc2c1[nH]cc2C(=O)C
Canonical SMILES CACTVS 3.385 CC(=O)c1c[nH]c2c(C)cccc12
Canonical SMILES OpenEye OEToolkits 2.0.4 Cc1cccc2c1[nH]cc2C(=O)C

IUPAC InChI

InChI=1S/C11H11NO/c1-7-4-3-5-9-10(8(2)13)6-12-11(7)9/h3-6,12H,1-2H3

IUPAC InChI key

LJRVPYJAWOKMGL-UHFFFAOYSA-N
5RO

wwPDB Information

Atom count

24 (13 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2015-11-18

Last modified at

2016-05-20

Status

Released

Obsoleted

Not Assigned