4-ethenyl-1-(3,4,5-trimethylphenyl)pyrrolidin-2-one

C15H19NO — CID 168684949

IUPAC4-ethenyl-1-(3,4,5-trimethylphenyl)pyrrolidin-2-one
SMILESC=CC1CC(=O)N(c2cc(C)c(C)c(C)c2)C1
InChIInChI=1S/C15H19NO/c1-5-13-8-15(17)16(9-13)14-6-10(2)12(4)11(3)7-14/h5-7,13H,1,8-9H2,2-4H3
InChIKeyQFNLUAQZPIHTFZ-UHFFFAOYSA-N
MW229.32 g/mol
LogP3.15
Rot. Bonds2

About 4-ethenyl-1-(3,4,5-trimethylphenyl)pyrrolidin-2-one

4-ethenyl-1-(3,4,5-trimethylphenyl)pyrrolidin-2-one (PubChem CID 168684949) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 4-ethenyl-1-(3,4,5-trimethylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-ethenyl-1-(3,4,5-trimethylphenyl)pyrrolidin-2-one
PubChem CID168684949
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name4-ethenyl-1-(3,4,5-trimethylphenyl)pyrrolidin-2-one
SMILESC=CC1CC(=O)N(c2cc(C)c(C)c(C)c2)C1
InChIInChI=1S/C15H19NO/c1-5-13-8-15(17)16(9-13)14-6-10(2)12(4)11(3)7-14/h5-7,13H,1,8-9H2,2-4H3
InChIKeyQFNLUAQZPIHTFZ-UHFFFAOYSA-N
XLogP3.15
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 53.15
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

1-[3-(2,5-dimethylpyrrol-1-yl)phenyl]-4-ethenylpyrrolidin-2-one
CID 168684975
4-ethenyl-1-(3-fluoro-4-methylphenyl)pyrrolidin-2-one
CID 168684815
1-(2,6-dichloro-4-pyridinyl)-4-ethenylpyrrolidin-2-one
CID 168686355
1-(3,5-dichloro-4-hydroxyphenyl)-4-ethenylpyrrolidin-2-one
CID 168685956
5-(4-ethenyl-2-oxopyrrolidin-1-yl)benzene-1,3-dicarboxylic acid
CID 168686322
4-ethenyl-1-(4-methylsulfonylphenyl)pyrrolidin-2-one
CID 168684610
1-(2,3-dimethylquinoxalin-6-yl)-4-ethenylpyrrolidin-2-one
CID 168684643
1-(5-chloro-2-methylphenyl)-4-ethenylpyrrolidin-2-one
CID 168684807
1-(5-amino-2-methylphenyl)-4-ethenylpyrrolidin-2-one
CID 168684817
4-ethenyl-1-(6-methyl-3-pyridinyl)pyrrolidin-2-one
CID 168684777
1-(2,5-difluoro-4-methylphenyl)-4-ethenylpyrrolidin-2-one
CID 168684654
methyl 3-chloro-5-(4-ethenyl-2-oxopyrrolidin-1-yl)benzoate
CID 168684387

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-1-(3,4,5-trimethylphenyl)pyrrolidin-2-one?
The IUPAC name of 4-ethenyl-1-(3,4,5-trimethylphenyl)pyrrolidin-2-one (CID 168684949) is 4-ethenyl-1-(3,4,5-trimethylphenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-ethenyl-1-(3,4,5-trimethylphenyl)pyrrolidin-2-one?
The canonical SMILES for 4-ethenyl-1-(3,4,5-trimethylphenyl)pyrrolidin-2-one is C=CC1CC(=O)N(c2cc(C)c(C)c(C)c2)C1.
What is the InChIKey of 4-ethenyl-1-(3,4,5-trimethylphenyl)pyrrolidin-2-one?
The InChIKey is QFNLUAQZPIHTFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-5-13-8-15(17)16(9-13)14-6-10(2)12(4)11(3)7-14/h5-7,13H,1,8-9H2,2-4H3.
What are the key properties of 4-ethenyl-1-(3,4,5-trimethylphenyl)pyrrolidin-2-one?
4-ethenyl-1-(3,4,5-trimethylphenyl)pyrrolidin-2-one has a molecular weight of 229.32 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-1-(3,4,5-trimethylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 168684949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).