4-ethenyl-1-[(2,4,6-trimethylphenyl)methyl]pyrrolidin-2-one

C16H21NO — CID 168684919

IUPAC4-ethenyl-1-[(2,4,6-trimethylphenyl)methyl]pyrrolidin-2-one
SMILESC=CC1CC(=O)N(Cc2c(C)cc(C)cc2C)C1
InChIInChI=1S/C16H21NO/c1-5-14-8-16(18)17(9-14)10-15-12(3)6-11(2)7-13(15)4/h5-7,14H,1,8-10H2,2-4H3
InChIKeyNJVHNDZQTDSDBD-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.15
Rot. Bonds3

About 4-ethenyl-1-[(2,4,6-trimethylphenyl)methyl]pyrrolidin-2-one

4-ethenyl-1-[(2,4,6-trimethylphenyl)methyl]pyrrolidin-2-one (PubChem CID 168684919) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is 4-ethenyl-1-[(2,4,6-trimethylphenyl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-ethenyl-1-[(2,4,6-trimethylphenyl)methyl]pyrrolidin-2-one
PubChem CID168684919
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name4-ethenyl-1-[(2,4,6-trimethylphenyl)methyl]pyrrolidin-2-one
SMILESC=CC1CC(=O)N(Cc2c(C)cc(C)cc2C)C1
InChIInChI=1S/C16H21NO/c1-5-14-8-16(18)17(9-14)10-15-12(3)6-11(2)7-13(15)4/h5-7,14H,1,8-10H2,2-4H3
InChIKeyNJVHNDZQTDSDBD-UHFFFAOYSA-N
XLogP3.15
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
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

4-ethenyl-1-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrrolidin-2-one
CID 168685036
4-ethenyl-1-(pyrimidin-5-ylmethyl)pyrrolidin-2-one
CID 168685494
1-[(2,5-dimethoxyphenyl)methyl]-4-ethenylpyrrolidin-2-one
CID 168684467
4-ethenyl-1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-one
CID 168685510
4-ethenyl-1-(2-hydroxyethyl)pyrrolidin-2-one
CID 168685259
4-ethenyl-1-(quinoxalin-6-ylmethyl)pyrrolidin-2-one
CID 168685460
4-ethenyl-1-(isoquinolin-3-ylmethyl)pyrrolidin-2-one
CID 168685452
4-ethenyl-1-hexylpyrrolidin-2-one
CID 168684076
4-ethenyl-1-(3,4,5-trimethylphenyl)pyrrolidin-2-one
CID 168684949
1-(4,6-dimethyl-2-pyridinyl)-4-ethenylpyrrolidin-2-one
CID 168684957
1-[(3-chloro-2-fluorophenyl)methyl]-4-ethenylpyrrolidin-2-one
CID 168685468
4-ethenyl-1-(quinoxalin-2-ylmethyl)pyrrolidin-2-one
CID 168685508

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-1-[(2,4,6-trimethylphenyl)methyl]pyrrolidin-2-one?
The IUPAC name of 4-ethenyl-1-[(2,4,6-trimethylphenyl)methyl]pyrrolidin-2-one (CID 168684919) is 4-ethenyl-1-[(2,4,6-trimethylphenyl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 4-ethenyl-1-[(2,4,6-trimethylphenyl)methyl]pyrrolidin-2-one?
The canonical SMILES for 4-ethenyl-1-[(2,4,6-trimethylphenyl)methyl]pyrrolidin-2-one is C=CC1CC(=O)N(Cc2c(C)cc(C)cc2C)C1.
What is the InChIKey of 4-ethenyl-1-[(2,4,6-trimethylphenyl)methyl]pyrrolidin-2-one?
The InChIKey is NJVHNDZQTDSDBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-5-14-8-16(18)17(9-14)10-15-12(3)6-11(2)7-13(15)4/h5-7,14H,1,8-10H2,2-4H3.
What are the key properties of 4-ethenyl-1-[(2,4,6-trimethylphenyl)methyl]pyrrolidin-2-one?
4-ethenyl-1-[(2,4,6-trimethylphenyl)methyl]pyrrolidin-2-one has a molecular weight of 243.35 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-1-[(2,4,6-trimethylphenyl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 168684919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).