4-ethenyl-1-(4-propylphenyl)pyrrolidin-2-one

C15H19NO — CID 168684103

IUPAC4-ethenyl-1-(4-propylphenyl)pyrrolidin-2-one
SMILESC=CC1CC(=O)N(c2ccc(CCC)cc2)C1
InChIInChI=1S/C15H19NO/c1-3-5-13-6-8-14(9-7-13)16-11-12(4-2)10-15(16)17/h4,6-9,12H,2-3,5,10-11H2,1H3
InChIKeyKRKRJLFWNRWNDY-UHFFFAOYSA-N
MW229.32 g/mol
LogP3.18
Rot. Bonds4

About 4-ethenyl-1-(4-propylphenyl)pyrrolidin-2-one

4-ethenyl-1-(4-propylphenyl)pyrrolidin-2-one (PubChem CID 168684103) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 4-ethenyl-1-(4-propylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-ethenyl-1-(4-propylphenyl)pyrrolidin-2-one
PubChem CID168684103
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name4-ethenyl-1-(4-propylphenyl)pyrrolidin-2-one
SMILESC=CC1CC(=O)N(c2ccc(CCC)cc2)C1
InChIInChI=1S/C15H19NO/c1-3-5-13-6-8-14(9-7-13)16-11-12(4-2)10-15(16)17/h4,6-9,12H,2-3,5,10-11H2,1H3
InChIKeyKRKRJLFWNRWNDY-UHFFFAOYSA-N
XLogP3.18
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-ethenyl-1-(4-methylsulfonylphenyl)pyrrolidin-2-one
CID 168684610
ethyl 4-(4-ethenyl-2-oxopyrrolidin-1-yl)benzoate
CID 168684150
4-ethenyl-1-[4-(4-fluorophenyl)phenyl]pyrrolidin-2-one
CID 168685874
4-ethenyl-1-(6-methyl-3-pyridinyl)pyrrolidin-2-one
CID 168684777
4-ethenyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrrolidin-2-one
CID 168686334
4-ethenyl-1-(3-fluoro-4-methylphenyl)pyrrolidin-2-one
CID 168684815
4-ethenyl-1-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrrolidin-2-one
CID 168685050
propan-2-yl 4-(4-ethenyl-2-oxopyrrolidin-1-yl)benzoate
CID 168683979
4-ethenyl-1-(3,4,5-trimethylphenyl)pyrrolidin-2-one
CID 168684949
4-(4-ethenyl-2-oxopyrrolidin-1-yl)benzene-1,2-dicarbonitrile
CID 168685791
1-(2,3-dimethylquinoxalin-6-yl)-4-ethenylpyrrolidin-2-one
CID 168684643
4-(hydroxymethyl)-1-(4-pentylphenyl)pyrrolidin-2-one
CID 22115930

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-1-(4-propylphenyl)pyrrolidin-2-one?
The IUPAC name of 4-ethenyl-1-(4-propylphenyl)pyrrolidin-2-one (CID 168684103) is 4-ethenyl-1-(4-propylphenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-ethenyl-1-(4-propylphenyl)pyrrolidin-2-one?
The canonical SMILES for 4-ethenyl-1-(4-propylphenyl)pyrrolidin-2-one is C=CC1CC(=O)N(c2ccc(CCC)cc2)C1.
What is the InChIKey of 4-ethenyl-1-(4-propylphenyl)pyrrolidin-2-one?
The InChIKey is KRKRJLFWNRWNDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-3-5-13-6-8-14(9-7-13)16-11-12(4-2)10-15(16)17/h4,6-9,12H,2-3,5,10-11H2,1H3.
What are the key properties of 4-ethenyl-1-(4-propylphenyl)pyrrolidin-2-one?
4-ethenyl-1-(4-propylphenyl)pyrrolidin-2-one has a molecular weight of 229.32 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-1-(4-propylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 168684103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).