4-ethenyl-1-(6-methyl-3-pyridinyl)pyrrolidin-2-one

C12H14N2O — CID 168684777

IUPAC4-ethenyl-1-(6-methyl-3-pyridinyl)pyrrolidin-2-one
SMILESC=CC1CC(=O)N(c2ccc(C)nc2)C1
InChIInChI=1S/C12H14N2O/c1-3-10-6-12(15)14(8-10)11-5-4-9(2)13-7-11/h3-5,7,10H,1,6,8H2,2H3
InChIKeyXPJCCGZKENFXFN-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.93
Rot. Bonds2

About 4-ethenyl-1-(6-methyl-3-pyridinyl)pyrrolidin-2-one

4-ethenyl-1-(6-methyl-3-pyridinyl)pyrrolidin-2-one (PubChem CID 168684777) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 4-ethenyl-1-(6-methyl-3-pyridinyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-ethenyl-1-(6-methyl-3-pyridinyl)pyrrolidin-2-one
PubChem CID168684777
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name4-ethenyl-1-(6-methyl-3-pyridinyl)pyrrolidin-2-one
SMILESC=CC1CC(=O)N(c2ccc(C)nc2)C1
InChIInChI=1S/C12H14N2O/c1-3-10-6-12(15)14(8-10)11-5-4-9(2)13-7-11/h3-5,7,10H,1,6,8H2,2H3
InChIKeyXPJCCGZKENFXFN-UHFFFAOYSA-N
XLogP1.93
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(bromomethyl)-1-(6-methyl-3-pyridinyl)pyrrolidin-2-one
CID 168504461
methyl 5-(4-ethenyl-2-oxopyrrolidin-1-yl)pyridine-2-carboxylate
CID 168684351
1-(2,3-dimethylquinoxalin-6-yl)-4-ethenylpyrrolidin-2-one
CID 168684643
4-ethenyl-1-(3-fluoro-4-methylphenyl)pyrrolidin-2-one
CID 168684815
4-ethenyl-1-(3,4,5-trimethylphenyl)pyrrolidin-2-one
CID 168684949
4-ethenyl-1-(4-methylsulfonylphenyl)pyrrolidin-2-one
CID 168684610
4-ethenyl-1-[4-(4-fluorophenyl)phenyl]pyrrolidin-2-one
CID 168685874
4-ethenyl-1-(4-propylphenyl)pyrrolidin-2-one
CID 168684103
1-(2,4-dimethyl-3-pyridinyl)-4-ethenylpyrrolidin-2-one
CID 168684838
1-[3-(2,5-dimethylpyrrol-1-yl)phenyl]-4-ethenylpyrrolidin-2-one
CID 168684975
4-ethenyl-1-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrrolidin-2-one
CID 168685050
4-(4-ethenyl-2-oxopyrrolidin-1-yl)benzene-1,2-dicarbonitrile
CID 168685791

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-1-(6-methyl-3-pyridinyl)pyrrolidin-2-one?
The IUPAC name of 4-ethenyl-1-(6-methyl-3-pyridinyl)pyrrolidin-2-one (CID 168684777) is 4-ethenyl-1-(6-methyl-3-pyridinyl)pyrrolidin-2-one.
What is the SMILES notation for 4-ethenyl-1-(6-methyl-3-pyridinyl)pyrrolidin-2-one?
The canonical SMILES for 4-ethenyl-1-(6-methyl-3-pyridinyl)pyrrolidin-2-one is C=CC1CC(=O)N(c2ccc(C)nc2)C1.
What is the InChIKey of 4-ethenyl-1-(6-methyl-3-pyridinyl)pyrrolidin-2-one?
The InChIKey is XPJCCGZKENFXFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-3-10-6-12(15)14(8-10)11-5-4-9(2)13-7-11/h3-5,7,10H,1,6,8H2,2H3.
What are the key properties of 4-ethenyl-1-(6-methyl-3-pyridinyl)pyrrolidin-2-one?
4-ethenyl-1-(6-methyl-3-pyridinyl)pyrrolidin-2-one has a molecular weight of 202.26 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-1-(6-methyl-3-pyridinyl)pyrrolidin-2-one is sourced from PubChem (CID 168684777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).