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

Related Compounds

5-phenyl-1,3,6,7-tetrahydro-1,4-diazepin-2-one
CID 118248204
2,6-diphenyl-3,4-dihydropyridine;yttrium
CID 59738556
3-phenyl-4H-1,2-thiazol-5-one
CID 58432995
2,3-dimethyl-5,7-diphenyl-6H-1,4-diazepine
CID 71375212
2,5-diphenyl-3,4-dihydropyridine;ethane;methane
CID 142821130
1,1'-biphenyl;cyclooctanone
CID 90108767
2,4,5-triphenyl-3H-pyrrole
CID 143156770
2-phenyl-6,7-dihydro-5H-[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-8-one
CID 66553209
benzene;tris(1,1'-biphenyl)
CID 162155747
2,2,5-triphenyl-3,4-dihydropyrrole
CID 11289490
5-hydroxy-3,7-diphenyl-4,6-dihydro-1,2,5lambda5-diazaphosphepine 5-oxide
CID 1392346
(5S)-5-methyl-3-phenyl-4,5-dihydro-1H-pyridazin-6-one
CID 11159775

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).