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

C14H12N2O — CID 10489322

IUPAC(3Z)-4-methyl-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one
SMILESCc1cccc2c1/C(=C/c1ccc[nH]1)C(=O)N2
InChIInChI=1S/C14H12N2O/c1-9-4-2-6-12-13(9)11(14(17)16-12)8-10-5-3-7-15-10/h2-8,15H,1H3,(H,16,17)/b11-8-
InChIKeyIUMPCHAHZBLTKY-FLIBITNWSA-N
MW224.26 g/mol
LogP2.82
Rot. Bonds1

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

(3Z)-4-methyl-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one (PubChem CID 10489322) has the molecular formula C14H12N2O and a molecular weight of 224.26 g/mol. Its IUPAC name is (3Z)-4-methyl-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-4-methyl-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one
PubChem CID10489322
Molecular FormulaC14H12N2O
Molecular Weight224.26 g/mol
Exact Mass224.09
IUPAC Name(3Z)-4-methyl-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one
SMILESCc1cccc2c1/C(=C/c1ccc[nH]1)C(=O)N2
InChIInChI=1S/C14H12N2O/c1-9-4-2-6-12-13(9)11(14(17)16-12)8-10-5-3-7-15-10/h2-8,15H,1H3,(H,16,17)/b11-8-
InChIKeyIUMPCHAHZBLTKY-FLIBITNWSA-N
XLogP2.82
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z)-4-methyl-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one?
The IUPAC name of (3Z)-4-methyl-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one (CID 10489322) is (3Z)-4-methyl-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one.
What is the SMILES notation for (3Z)-4-methyl-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one?
The canonical SMILES for (3Z)-4-methyl-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one is Cc1cccc2c1/C(=C/c1ccc[nH]1)C(=O)N2.
What is the InChIKey of (3Z)-4-methyl-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one?
The InChIKey is IUMPCHAHZBLTKY-FLIBITNWSA-N. The full InChI is InChI=1S/C14H12N2O/c1-9-4-2-6-12-13(9)11(14(17)16-12)8-10-5-3-7-15-10/h2-8,15H,1H3,(H,16,17)/b11-8-.
What are the key properties of (3Z)-4-methyl-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one?
(3Z)-4-methyl-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one has a molecular weight of 224.26 g/mol, XLogP of 2.82, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-4-methyl-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one is sourced from PubChem (CID 10489322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).