5-phenyl-3,4-dihydropyrrol-2-one

C10H9NO — CID 122467040

IUPAC5-phenyl-3,4-dihydropyrrol-2-one
SMILESO=C1CCC(c2ccccc2)=N1
InChIInChI=1S/C10H9NO/c12-10-7-6-9(11-10)8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKeyPGTZRBLWPCPSDF-UHFFFAOYSA-N
MW159.19 g/mol
LogP1.80
Rot. Bonds1

About 5-phenyl-3,4-dihydropyrrol-2-one

5-phenyl-3,4-dihydropyrrol-2-one (PubChem CID 122467040) has the molecular formula C10H9NO and a molecular weight of 159.19 g/mol. Its IUPAC name is 5-phenyl-3,4-dihydropyrrol-2-one.

Molecular Properties

Compound Name5-phenyl-3,4-dihydropyrrol-2-one
PubChem CID122467040
Molecular FormulaC10H9NO
Molecular Weight159.19 g/mol
Exact Mass159.07
IUPAC Name5-phenyl-3,4-dihydropyrrol-2-one
SMILESO=C1CCC(c2ccccc2)=N1
InChIInChI=1S/C10H9NO/c12-10-7-6-9(11-10)8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKeyPGTZRBLWPCPSDF-UHFFFAOYSA-N
XLogP1.80
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 5-phenyl-3,4-dihydropyrrol-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 5-phenyl-3,4-dihydropyrrol-2-one?
The IUPAC name of 5-phenyl-3,4-dihydropyrrol-2-one (CID 122467040) is 5-phenyl-3,4-dihydropyrrol-2-one.
What is the SMILES notation for 5-phenyl-3,4-dihydropyrrol-2-one?
The canonical SMILES for 5-phenyl-3,4-dihydropyrrol-2-one is O=C1CCC(c2ccccc2)=N1.
What is the InChIKey of 5-phenyl-3,4-dihydropyrrol-2-one?
The InChIKey is PGTZRBLWPCPSDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO/c12-10-7-6-9(11-10)8-4-2-1-3-5-8/h1-5H,6-7H2.
What are the key properties of 5-phenyl-3,4-dihydropyrrol-2-one?
5-phenyl-3,4-dihydropyrrol-2-one has a molecular weight of 159.19 g/mol, XLogP of 1.80, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-3,4-dihydropyrrol-2-one is sourced from PubChem (CID 122467040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).