1-(2-phenylethyl)-3-propan-2-ylidenepyrrolidin-2-one

C15H19NO — CID 102467762

IUPAC1-(2-phenylethyl)-3-propan-2-ylidenepyrrolidin-2-one
SMILESCC(C)=C1CCN(CCc2ccccc2)C1=O
InChIInChI=1S/C15H19NO/c1-12(2)14-9-11-16(15(14)17)10-8-13-6-4-3-5-7-13/h3-7H,8-11H2,1-2H3
InChIKeyPSMAQWTXRPKRFA-UHFFFAOYSA-N
MW229.32 g/mol
LogP2.80
Rot. Bonds3

About 1-(2-phenylethyl)-3-propan-2-ylidenepyrrolidin-2-one

1-(2-phenylethyl)-3-propan-2-ylidenepyrrolidin-2-one (PubChem CID 102467762) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 1-(2-phenylethyl)-3-propan-2-ylidenepyrrolidin-2-one.

Molecular Properties

Compound Name1-(2-phenylethyl)-3-propan-2-ylidenepyrrolidin-2-one
PubChem CID102467762
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name1-(2-phenylethyl)-3-propan-2-ylidenepyrrolidin-2-one
SMILESCC(C)=C1CCN(CCc2ccccc2)C1=O
InChIInChI=1S/C15H19NO/c1-12(2)14-9-11-16(15(14)17)10-8-13-6-4-3-5-7-13/h3-7H,8-11H2,1-2H3
InChIKeyPSMAQWTXRPKRFA-UHFFFAOYSA-N
XLogP2.80
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-phenyl-2-(2-phenylethyl)-3,4-dihydroisoquinolin-1-one
CID 165177850
2,2-dimethyl-1-(2-phenylethyl)piperidin-3-one
CID 117019112
(4R)-4-acetyl-1-(2-phenylethyl)pyrrolidin-2-one
CID 71239800
2-methyl-5-(2-phenylethyl)-1,2,5-oxadiazinane-3,6-dione
CID 86233009
methyl 3-[6-oxo-1-(2-phenylethyl)-2,3-dihydropyridin-5-yl]propanoate
CID 16720445
ethane;5-methyl-3-(2-phenylethyl)-1,3-oxazolidin-2-one
CID 90810932
3,3-dimethyl-1-(2-phenylethyl)piperidine-2,6-dione
CID 10514518
methoxymethane;1-(2-phenylethyl)piperidin-4-one
CID 91011743
3-methylsulfanyl-5-(2-phenylethyl)-1-(1H-pyrazol-5-yl)-6,7-dihydrothieno[3,4-c]pyridin-4-one
CID 57336017
6-(1-ethanimidoylpiperidin-4-yl)oxy-2-(2-phenylethyl)-3,4-dihydroisoquinolin-1-one
CID 10111054
(3R)-3-amino-1-(2-phenylethyl)pyrrolidin-2-one
CID 11096743
(3Z)-3-(1-anilinopropylidene)-1-benzylpyrrolidin-2-one
CID 143967483

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylethyl)-3-propan-2-ylidenepyrrolidin-2-one?
The IUPAC name of 1-(2-phenylethyl)-3-propan-2-ylidenepyrrolidin-2-one (CID 102467762) is 1-(2-phenylethyl)-3-propan-2-ylidenepyrrolidin-2-one.
What is the SMILES notation for 1-(2-phenylethyl)-3-propan-2-ylidenepyrrolidin-2-one?
The canonical SMILES for 1-(2-phenylethyl)-3-propan-2-ylidenepyrrolidin-2-one is CC(C)=C1CCN(CCc2ccccc2)C1=O.
What is the InChIKey of 1-(2-phenylethyl)-3-propan-2-ylidenepyrrolidin-2-one?
The InChIKey is PSMAQWTXRPKRFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-12(2)14-9-11-16(15(14)17)10-8-13-6-4-3-5-7-13/h3-7H,8-11H2,1-2H3.
What are the key properties of 1-(2-phenylethyl)-3-propan-2-ylidenepyrrolidin-2-one?
1-(2-phenylethyl)-3-propan-2-ylidenepyrrolidin-2-one has a molecular weight of 229.32 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylethyl)-3-propan-2-ylidenepyrrolidin-2-one is sourced from PubChem (CID 102467762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).