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

C13H10N2O — CID 171989370

IUPAC(3Z)-3-(1H-pyrrol-3-ylmethylidene)-1H-indol-2-one
SMILESO=C1Nc2ccccc2/C1=C/c1cc[nH]c1
InChIInChI=1S/C13H10N2O/c16-13-11(7-9-5-6-14-8-9)10-3-1-2-4-12(10)15-13/h1-8,14H,(H,15,16)/b11-7-
InChIKeyFGXLSPJQUKDBPD-XFFZJAGNSA-N
MW210.24 g/mol
LogP2.51
Rot. Bonds1

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

(3Z)-3-(1H-pyrrol-3-ylmethylidene)-1H-indol-2-one (PubChem CID 171989370) has the molecular formula C13H10N2O and a molecular weight of 210.24 g/mol. Its IUPAC name is (3Z)-3-(1H-pyrrol-3-ylmethylidene)-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-3-(1H-pyrrol-3-ylmethylidene)-1H-indol-2-one
PubChem CID171989370
Molecular FormulaC13H10N2O
Molecular Weight210.24 g/mol
Exact Mass210.08
IUPAC Name(3Z)-3-(1H-pyrrol-3-ylmethylidene)-1H-indol-2-one
SMILESO=C1Nc2ccccc2/C1=C/c1cc[nH]c1
InChIInChI=1S/C13H10N2O/c16-13-11(7-9-5-6-14-8-9)10-3-1-2-4-12(10)15-13/h1-8,14H,(H,15,16)/b11-7-
InChIKeyFGXLSPJQUKDBPD-XFFZJAGNSA-N
XLogP2.51
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_L(4)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (3Z)-3-(1H-pyrrol-3-ylmethylidene)-1H-indol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-(1H-pyrrol-3-ylmethylidene)-1H-indol-2-one?
The IUPAC name of (3Z)-3-(1H-pyrrol-3-ylmethylidene)-1H-indol-2-one (CID 171989370) is (3Z)-3-(1H-pyrrol-3-ylmethylidene)-1H-indol-2-one.
What is the SMILES notation for (3Z)-3-(1H-pyrrol-3-ylmethylidene)-1H-indol-2-one?
The canonical SMILES for (3Z)-3-(1H-pyrrol-3-ylmethylidene)-1H-indol-2-one is O=C1Nc2ccccc2/C1=C/c1cc[nH]c1.
What is the InChIKey of (3Z)-3-(1H-pyrrol-3-ylmethylidene)-1H-indol-2-one?
The InChIKey is FGXLSPJQUKDBPD-XFFZJAGNSA-N. The full InChI is InChI=1S/C13H10N2O/c16-13-11(7-9-5-6-14-8-9)10-3-1-2-4-12(10)15-13/h1-8,14H,(H,15,16)/b11-7-.
What are the key properties of (3Z)-3-(1H-pyrrol-3-ylmethylidene)-1H-indol-2-one?
(3Z)-3-(1H-pyrrol-3-ylmethylidene)-1H-indol-2-one has a molecular weight of 210.24 g/mol, XLogP of 2.51, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-(1H-pyrrol-3-ylmethylidene)-1H-indol-2-one is sourced from PubChem (CID 171989370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).