Chemical Components in the PDB

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W6P : Summary

Code

W6P

One-letter code

X

Molecule name

1,3-dihydro-2H-indol-2-one

Systematic names

ProgramVersionName
ACDLabs 12.01 1,3-dihydro-2H-indol-2-one
OpenEye OEToolkits 2.0.7 1,3-dihydroindol-2-one

Formula

C8 H7 N O

Formal charge

0

Molecular weight

133.147 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 C2(=O)Cc1c(cccc1)N2
SMILES CACTVS 3.385 O=C1Cc2ccccc2N1
SMILES OpenEye OEToolkits 2.0.7 c1ccc2c(c1)CC(=O)N2
Canonical SMILES CACTVS 3.385 O=C1Cc2ccccc2N1
Canonical SMILES OpenEye OEToolkits 2.0.7 c1ccc2c(c1)CC(=O)N2

IUPAC InChI

InChI=1S/C8H7NO/c10-8-5-6-3-1-2-4-7(6)9-8/h1-4H,5H2,(H,9,10)

IUPAC InChI key

JYGFTBXVXVMTGB-UHFFFAOYSA-N
W6P

wwPDB Information

Atom count

17 (10 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2020-09-29

Last modified at

2020-12-11

Status

Released

Obsoleted

Not Assigned