(E)-3-(4-phenylphenyl)-1-pyrrolidin-1-ylprop-2-en-1-one

C19H19NO — CID 155525148

IUPAC(E)-3-(4-phenylphenyl)-1-pyrrolidin-1-ylprop-2-en-1-one
SMILESO=C(/C=C/c1ccc(-c2ccccc2)cc1)N1CCCC1
InChIInChI=1S/C19H19NO/c21-19(20-14-4-5-15-20)13-10-16-8-11-18(12-9-16)17-6-2-1-3-7-17/h1-3,6-13H,4-5,14-15H2/b13-10+
InChIKeyZNVYDETYFHSFMR-JLHYYAGUSA-N
MW277.37 g/mol
LogP3.99
Rot. Bonds3

About (E)-3-(4-phenylphenyl)-1-pyrrolidin-1-ylprop-2-en-1-one

(E)-3-(4-phenylphenyl)-1-pyrrolidin-1-ylprop-2-en-1-one (PubChem CID 155525148) has the molecular formula C19H19NO and a molecular weight of 277.37 g/mol. Its IUPAC name is (E)-3-(4-phenylphenyl)-1-pyrrolidin-1-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(4-phenylphenyl)-1-pyrrolidin-1-ylprop-2-en-1-one
PubChem CID155525148
Molecular FormulaC19H19NO
Molecular Weight277.37 g/mol
Exact Mass277.15
IUPAC Name(E)-3-(4-phenylphenyl)-1-pyrrolidin-1-ylprop-2-en-1-one
SMILESO=C(/C=C/c1ccc(-c2ccccc2)cc1)N1CCCC1
InChIInChI=1S/C19H19NO/c21-19(20-14-4-5-15-20)13-10-16-8-11-18(12-9-16)17-6-2-1-3-7-17/h1-3,6-13H,4-5,14-15H2/b13-10+
InChIKeyZNVYDETYFHSFMR-JLHYYAGUSA-N
XLogP3.99
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E)-3-(4-phenylphenyl)-1-pyrrolidin-1-ylprop-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-(4-phenylphenyl)-1-pyrrolidin-1-ylprop-2-en-1-one?
The IUPAC name of (E)-3-(4-phenylphenyl)-1-pyrrolidin-1-ylprop-2-en-1-one (CID 155525148) is (E)-3-(4-phenylphenyl)-1-pyrrolidin-1-ylprop-2-en-1-one.
What is the SMILES notation for (E)-3-(4-phenylphenyl)-1-pyrrolidin-1-ylprop-2-en-1-one?
The canonical SMILES for (E)-3-(4-phenylphenyl)-1-pyrrolidin-1-ylprop-2-en-1-one is O=C(/C=C/c1ccc(-c2ccccc2)cc1)N1CCCC1.
What is the InChIKey of (E)-3-(4-phenylphenyl)-1-pyrrolidin-1-ylprop-2-en-1-one?
The InChIKey is ZNVYDETYFHSFMR-JLHYYAGUSA-N. The full InChI is InChI=1S/C19H19NO/c21-19(20-14-4-5-15-20)13-10-16-8-11-18(12-9-16)17-6-2-1-3-7-17/h1-3,6-13H,4-5,14-15H2/b13-10+.
What are the key properties of (E)-3-(4-phenylphenyl)-1-pyrrolidin-1-ylprop-2-en-1-one?
(E)-3-(4-phenylphenyl)-1-pyrrolidin-1-ylprop-2-en-1-one has a molecular weight of 277.37 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-phenylphenyl)-1-pyrrolidin-1-ylprop-2-en-1-one is sourced from PubChem (CID 155525148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).