(E)-3-phenyl-1-(1H-pyrrol-2-yl)prop-2-en-1-one

C13H11NO — CID 6283112

IUPAC(E)-3-phenyl-1-(1H-pyrrol-2-yl)prop-2-en-1-one
SMILESO=C(/C=C/c1ccccc1)c1ccc[nH]1
InChIInChI=1S/C13H11NO/c15-13(12-7-4-10-14-12)9-8-11-5-2-1-3-6-11/h1-10,14H/b9-8+
InChIKeyGLNFFMZPELBRRR-CMDGGOBGSA-N
MW197.24 g/mol
LogP2.91
Rot. Bonds3

About (E)-3-phenyl-1-(1H-pyrrol-2-yl)prop-2-en-1-one

(E)-3-phenyl-1-(1H-pyrrol-2-yl)prop-2-en-1-one (PubChem CID 6283112) has the molecular formula C13H11NO and a molecular weight of 197.24 g/mol. Its IUPAC name is (E)-3-phenyl-1-(1H-pyrrol-2-yl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-phenyl-1-(1H-pyrrol-2-yl)prop-2-en-1-one
PubChem CID6283112
Molecular FormulaC13H11NO
Molecular Weight197.24 g/mol
Exact Mass197.08
IUPAC Name(E)-3-phenyl-1-(1H-pyrrol-2-yl)prop-2-en-1-one
SMILESO=C(/C=C/c1ccccc1)c1ccc[nH]1
InChIInChI=1S/C13H11NO/c15-13(12-7-4-10-14-12)9-8-11-5-2-1-3-6-11/h1-10,14H/b9-8+
InChIKeyGLNFFMZPELBRRR-CMDGGOBGSA-N
XLogP2.91
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E)-3-phenyl-1-(1H-pyrrol-2-yl)prop-2-en-1-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 (E)-3-phenyl-1-(1H-pyrrol-2-yl)prop-2-en-1-one?
The IUPAC name of (E)-3-phenyl-1-(1H-pyrrol-2-yl)prop-2-en-1-one (CID 6283112) is (E)-3-phenyl-1-(1H-pyrrol-2-yl)prop-2-en-1-one.
What is the SMILES notation for (E)-3-phenyl-1-(1H-pyrrol-2-yl)prop-2-en-1-one?
The canonical SMILES for (E)-3-phenyl-1-(1H-pyrrol-2-yl)prop-2-en-1-one is O=C(/C=C/c1ccccc1)c1ccc[nH]1.
What is the InChIKey of (E)-3-phenyl-1-(1H-pyrrol-2-yl)prop-2-en-1-one?
The InChIKey is GLNFFMZPELBRRR-CMDGGOBGSA-N. The full InChI is InChI=1S/C13H11NO/c15-13(12-7-4-10-14-12)9-8-11-5-2-1-3-6-11/h1-10,14H/b9-8+.
What are the key properties of (E)-3-phenyl-1-(1H-pyrrol-2-yl)prop-2-en-1-one?
(E)-3-phenyl-1-(1H-pyrrol-2-yl)prop-2-en-1-one has a molecular weight of 197.24 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-phenyl-1-(1H-pyrrol-2-yl)prop-2-en-1-one is sourced from PubChem (CID 6283112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).