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Summary Geometry Related PDB entries

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Summary

Name:	(3Z)-5-amino-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-1,3-dihydro-2H-indol-2-one
Formula:	C15 H15 N3 O
Formal charge:	0
Formula weight:	253.299 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	10.04	(3Z)-5-amino-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-1,3-dihydro-2H-indol-2-one
OpenEye OEToolkits	1.6.1	(3Z)-5-amino-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C2C(\c1cc(ccc1N2)N)=C/c3c(cc(n3)C)C
SMILES_CANONICAL	CACTVS	3.352	Cc1[nH]c(\C=C\2C(=O)Nc3ccc(N)cc\23)c(C)c1
SMILES	CACTVS	3.352	Cc1[nH]c(C=C2C(=O)Nc3ccc(N)cc23)c(C)c1
SMILES_CANONICAL	OpenEye OEToolkits	1.6.1	Cc1cc([nH]c1\C=C/2\c3cc(ccc3NC2=O)N)C
SMILES	OpenEye OEToolkits	1.6.1	Cc1cc([nH]c1C=C2c3cc(ccc3NC2=O)N)C
InChI	InChI	1.03	InChI=1S/C15H15N3O/c1-8-5-9(2)17-14(8)7-12-11-6-10(16)3-4-13(11)18-15(12)19/h3-7,17H,16H2,1-2H3,(H,18,19)/b12-7-
InChIKey	InChI	1.03	XYONNOXYJMPBMA-GHXNOFRVSA-N

248636

PDB entries from 2026-02-04

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