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Summary Geometry Related PDB entries

39Z

Summary

Name:	5-HYDROXY-3-[(1R)-1-(1H-PYRROL-2-YL)ETHYL]-2H-INDOL-2-ONE
Formula:	C14 H12 N2 O2
Formal charge:	0
Formula weight:	240.257 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	10.04	5-hydroxy-3-[(1R)-1-(1H-pyrrol-2-yl)ethyl]-2H-indol-2-one
OpenEye OEToolkits	1.5.0	5-hydroxy-3-[1-(1H-pyrrol-2-yl)ethyl]indol-2-one

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C2N=C1C=CC(O)=CC1=C2C(c3cccn3)C
SMILES_CANONICAL	CACTVS	3.341	C[C@@H](c1[nH]ccc1)C2=C3C=C(O)C=CC3=NC2=O
SMILES	CACTVS	3.341	C[CH](c1[nH]ccc1)C2=C3C=C(O)C=CC3=NC2=O
SMILES_CANONICAL	OpenEye OEToolkits	1.5.0	CC(c1ccc[nH]1)C2=C3C=C(C=CC3=NC2=O)O
SMILES	OpenEye OEToolkits	1.5.0	CC(c1ccc[nH]1)C2=C3C=C(C=CC3=NC2=O)O
InChI	InChI	1.03	InChI=1S/C14H12N2O2/c1-8(11-3-2-6-15-11)13-10-7-9(17)4-5-12(10)16-14(13)18/h2-8,15,17H,1H3/t8-/m0/s1
InChIKey	InChI	1.03	VWQVBIPGKIAUGA-QMMMGPOBSA-N

248636

PDB entries from 2026-02-04

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