(3Z)-4-hydroxy-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one

C13H10N2O2 — CID 23647608

IUPAC(3Z)-4-hydroxy-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one
SMILESO=C1Nc2cccc(O)c2/C1=C/c1ccc[nH]1
InChIInChI=1S/C13H10N2O2/c16-11-5-1-4-10-12(11)9(13(17)15-10)7-8-3-2-6-14-8/h1-7,14,16H,(H,15,17)/b9-7-
InChIKeyITGNBFTVFUSOGU-CLFYSBASSA-N
MW226.24 g/mol
LogP2.21
Rot. Bonds1

About (3Z)-4-hydroxy-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one

(3Z)-4-hydroxy-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one (PubChem CID 23647608) has the molecular formula C13H10N2O2 and a molecular weight of 226.24 g/mol. Its IUPAC name is (3Z)-4-hydroxy-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-4-hydroxy-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one
PubChem CID23647608
Molecular FormulaC13H10N2O2
Molecular Weight226.24 g/mol
Exact Mass226.07
IUPAC Name(3Z)-4-hydroxy-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one
SMILESO=C1Nc2cccc(O)c2/C1=C/c1ccc[nH]1
InChIInChI=1S/C13H10N2O2/c16-11-5-1-4-10-12(11)9(13(17)15-10)7-8-3-2-6-14-8/h1-7,14,16H,(H,15,17)/b9-7-
InChIKeyITGNBFTVFUSOGU-CLFYSBASSA-N
XLogP2.21
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1H-indol-4-ol
CID 75421
Violacein
CID 11053
3-(6-hydroxy-1H-indol-3-yl)-4-(1H-indol-3-yl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 5327725
4-Hydroxytryptamine
CID 11297
Norpsilocin
CID 14107683
6-Hydroxy-1H-Indole-3-Acetamide
CID 286538
3-Substituted indolin-2-one 11d
CID 5329141
(3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-5-hydroxy-2,3-dihydro-1H-indol-2-one
CID 10131254
(3Z)-5-hydroxy-3-(1H-pyrrol-2-ylmethylidene)-2,3-dihydro-1H-indol-2-one
CID 11989153
4-HO-pyr-T
CID 21854226
(3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-2,3-dihydro-1H-indole-5-carboxylic acid
CID 23644715
[(3Z)-3-{[4-(3-hydroxyphenyl)-1H-pyrrol-2-yl]methylidene}-2-oxo-2,3-dihydro-1H-indol-5-yl]urea
CID 23647598

Frequently Asked Questions

What is the IUPAC name of (3Z)-4-hydroxy-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one?
The IUPAC name of (3Z)-4-hydroxy-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one (CID 23647608) is (3Z)-4-hydroxy-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one.
What is the SMILES notation for (3Z)-4-hydroxy-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one?
The canonical SMILES for (3Z)-4-hydroxy-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one is O=C1Nc2cccc(O)c2/C1=C/c1ccc[nH]1.
What is the InChIKey of (3Z)-4-hydroxy-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one?
The InChIKey is ITGNBFTVFUSOGU-CLFYSBASSA-N. The full InChI is InChI=1S/C13H10N2O2/c16-11-5-1-4-10-12(11)9(13(17)15-10)7-8-3-2-6-14-8/h1-7,14,16H,(H,15,17)/b9-7-.
What are the key properties of (3Z)-4-hydroxy-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one?
(3Z)-4-hydroxy-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one has a molecular weight of 226.24 g/mol, XLogP of 2.21, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-4-hydroxy-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one is sourced from PubChem (CID 23647608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).