2-(4-ethenyl-2-oxopyrrolidin-1-yl)-N,3-dimethylbenzamide

C15H18N2O2 — CID 168684989

IUPAC2-(4-ethenyl-2-oxopyrrolidin-1-yl)-N,3-dimethylbenzamide
SMILESC=CC1CC(=O)N(c2c(C)cccc2C(=O)NC)C1
InChIInChI=1S/C15H18N2O2/c1-4-11-8-13(18)17(9-11)14-10(2)6-5-7-12(14)15(19)16-3/h4-7,11H,1,8-9H2,2-3H3,(H,16,19)
InChIKeyVKMOIWBWDWXZPT-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.89
Rot. Bonds3

About 2-(4-ethenyl-2-oxopyrrolidin-1-yl)-N,3-dimethylbenzamide

2-(4-ethenyl-2-oxopyrrolidin-1-yl)-N,3-dimethylbenzamide (PubChem CID 168684989) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-(4-ethenyl-2-oxopyrrolidin-1-yl)-N,3-dimethylbenzamide.

Molecular Properties

Compound Name2-(4-ethenyl-2-oxopyrrolidin-1-yl)-N,3-dimethylbenzamide
PubChem CID168684989
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name2-(4-ethenyl-2-oxopyrrolidin-1-yl)-N,3-dimethylbenzamide
SMILESC=CC1CC(=O)N(c2c(C)cccc2C(=O)NC)C1
InChIInChI=1S/C15H18N2O2/c1-4-11-8-13(18)17(9-11)14-10(2)6-5-7-12(14)15(19)16-3/h4-7,11H,1,8-9H2,2-3H3,(H,16,19)
InChIKeyVKMOIWBWDWXZPT-UHFFFAOYSA-N
XLogP1.89
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-chloro-2-(4-ethenyl-2-oxopyrrolidin-1-yl)benzoate
CID 168684395
3-chloro-2-(4-ethenyl-2-oxopyrrolidin-1-yl)benzoic acid
CID 168685566
2-(4-ethenyl-2-oxopyrrolidin-1-yl)-6-methylbenzoic acid
CID 168685006
1-(2,4-dimethyl-3-pyridinyl)-4-ethenylpyrrolidin-2-one
CID 168684838
1-(2-bromo-4-methyl-3-pyridinyl)-4-ethenylpyrrolidin-2-one
CID 168684837
N-cyclopropyl-2-(4-ethenyl-2-oxopyrrolidin-1-yl)benzamide
CID 168686066
4-ethenyl-1-(3,4,5-trimethylphenyl)pyrrolidin-2-one
CID 168684949
1-(5-chloro-2-methylphenyl)-4-ethenylpyrrolidin-2-one
CID 168684807
1-(2-amino-6-chlorophenyl)-4-ethenylpyrrolidin-2-one
CID 168686471
1-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 4739040
1-[3-(2,5-dimethylpyrrol-1-yl)phenyl]-4-ethenylpyrrolidin-2-one
CID 168684975
3-[4-(bromomethyl)-2-oxopyrrolidin-1-yl]-N,2-dimethylbenzamide
CID 168504361

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethenyl-2-oxopyrrolidin-1-yl)-N,3-dimethylbenzamide?
The IUPAC name of 2-(4-ethenyl-2-oxopyrrolidin-1-yl)-N,3-dimethylbenzamide (CID 168684989) is 2-(4-ethenyl-2-oxopyrrolidin-1-yl)-N,3-dimethylbenzamide.
What is the SMILES notation for 2-(4-ethenyl-2-oxopyrrolidin-1-yl)-N,3-dimethylbenzamide?
The canonical SMILES for 2-(4-ethenyl-2-oxopyrrolidin-1-yl)-N,3-dimethylbenzamide is C=CC1CC(=O)N(c2c(C)cccc2C(=O)NC)C1.
What is the InChIKey of 2-(4-ethenyl-2-oxopyrrolidin-1-yl)-N,3-dimethylbenzamide?
The InChIKey is VKMOIWBWDWXZPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-4-11-8-13(18)17(9-11)14-10(2)6-5-7-12(14)15(19)16-3/h4-7,11H,1,8-9H2,2-3H3,(H,16,19).
What are the key properties of 2-(4-ethenyl-2-oxopyrrolidin-1-yl)-N,3-dimethylbenzamide?
2-(4-ethenyl-2-oxopyrrolidin-1-yl)-N,3-dimethylbenzamide has a molecular weight of 258.32 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethenyl-2-oxopyrrolidin-1-yl)-N,3-dimethylbenzamide is sourced from PubChem (CID 168684989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).