(3Z)-5-hydroxy-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one

C13H10N2O2 — CID 11989153

IUPAC(3Z)-5-hydroxy-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one
SMILESO=C1Nc2ccc(O)cc2/C1=C/c1ccc[nH]1
InChIInChI=1S/C13H10N2O2/c16-9-3-4-12-10(7-9)11(13(17)15-12)6-8-2-1-5-14-8/h1-7,14,16H,(H,15,17)/b11-6-
InChIKeySCHFNRDBLZXSFE-WDZFZDKYSA-N
MW226.24 g/mol
LogP2.21
Rot. Bonds1

About (3Z)-5-hydroxy-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one

(3Z)-5-hydroxy-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one (PubChem CID 11989153) has the molecular formula C13H10N2O2 and a molecular weight of 226.24 g/mol. Its IUPAC name is (3Z)-5-hydroxy-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-5-hydroxy-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one
PubChem CID11989153
Molecular FormulaC13H10N2O2
Molecular Weight226.24 g/mol
Exact Mass226.07
IUPAC Name(3Z)-5-hydroxy-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one
SMILESO=C1Nc2ccc(O)cc2/C1=C/c1ccc[nH]1
InChIInChI=1S/C13H10N2O2/c16-9-3-4-12-10(7-9)11(13(17)15-12)6-8-2-1-5-14-8/h1-7,14,16H,(H,15,17)/b11-6-
InChIKeySCHFNRDBLZXSFE-WDZFZDKYSA-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': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z)-5-hydroxy-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one?
The IUPAC name of (3Z)-5-hydroxy-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one (CID 11989153) is (3Z)-5-hydroxy-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one.
What is the SMILES notation for (3Z)-5-hydroxy-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one?
The canonical SMILES for (3Z)-5-hydroxy-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one is O=C1Nc2ccc(O)cc2/C1=C/c1ccc[nH]1.
What is the InChIKey of (3Z)-5-hydroxy-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one?
The InChIKey is SCHFNRDBLZXSFE-WDZFZDKYSA-N. The full InChI is InChI=1S/C13H10N2O2/c16-9-3-4-12-10(7-9)11(13(17)15-12)6-8-2-1-5-14-8/h1-7,14,16H,(H,15,17)/b11-6-.
What are the key properties of (3Z)-5-hydroxy-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one?
(3Z)-5-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)-5-hydroxy-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one is sourced from PubChem (CID 11989153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).