5-ethenylidene-3-methyl-1-(4-methylphenyl)pyrrolidin-2-one

C14H15NO — CID 170744826

IUPAC5-ethenylidene-3-methyl-1-(4-methylphenyl)pyrrolidin-2-one
SMILESC=C=C1CC(C)C(=O)N1c1ccc(C)cc1
InChIInChI=1S/C14H15NO/c1-4-12-9-11(3)14(16)15(12)13-7-5-10(2)6-8-13/h5-8,11H,1,9H2,2-3H3
InChIKeyFSCKOTLOUIIMBY-UHFFFAOYSA-N
MW213.28 g/mol
LogP3.04
Rot. Bonds1

About 5-ethenylidene-3-methyl-1-(4-methylphenyl)pyrrolidin-2-one

5-ethenylidene-3-methyl-1-(4-methylphenyl)pyrrolidin-2-one (PubChem CID 170744826) has the molecular formula C14H15NO and a molecular weight of 213.28 g/mol. Its IUPAC name is 5-ethenylidene-3-methyl-1-(4-methylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name5-ethenylidene-3-methyl-1-(4-methylphenyl)pyrrolidin-2-one
PubChem CID170744826
Molecular FormulaC14H15NO
Molecular Weight213.28 g/mol
Exact Mass213.12
IUPAC Name5-ethenylidene-3-methyl-1-(4-methylphenyl)pyrrolidin-2-one
SMILESC=C=C1CC(C)C(=O)N1c1ccc(C)cc1
InChIInChI=1S/C14H15NO/c1-4-12-9-11(3)14(16)15(12)13-7-5-10(2)6-8-13/h5-8,11H,1,9H2,2-3H3
InChIKeyFSCKOTLOUIIMBY-UHFFFAOYSA-N
XLogP3.04
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3S)-3-methyl-1-(4-methylphenyl)pyrrolidine-2,5-dione
CID 124672804
(3aR,7aR)-5,6-dimethyl-2-(4-methylphenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 6951465
(1S,5S)-3-(4-methylphenyl)-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 7100139
(1R,5R)-3-(4-methylphenyl)-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 7100138
5,6-dimethyl-2-(4-methylphenyl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 20677736
(3aS,4S,7S,7aR)-4,7-dimethyl-2-(4-methylphenyl)-3a,7a-dihydro-4,7-epoxyisoindole-1,3-dione
CID 50897642
(3aS,4R,7R,7aS)-4,7-dimethyl-2-(4-methylphenyl)-3a,7a-dihydro-4,7-epoxyisoindole-1,3-dione
CID 99721915
2-[4-(4-methylphenyl)sulfanylphenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 4283372
4-[(3R)-3-methyl-2,5-dioxopyrrolidin-1-yl]benzoate
CID 7829632
4-(4-methylphenyl)-4-azatricyclo[5.2.1.02,6]dec-8-yne-3,5-dione
CID 163724863
3-(2,6-dimethylmorpholin-4-yl)-1-(4-methylphenyl)pyrrolidine-2,5-dione
CID 3139865
3-(tert-butylamino)-1-(4-methylphenyl)pyrrolidine-2,5-dione
CID 71669968

Frequently Asked Questions

What is the IUPAC name of 5-ethenylidene-3-methyl-1-(4-methylphenyl)pyrrolidin-2-one?
The IUPAC name of 5-ethenylidene-3-methyl-1-(4-methylphenyl)pyrrolidin-2-one (CID 170744826) is 5-ethenylidene-3-methyl-1-(4-methylphenyl)pyrrolidin-2-one.
What is the SMILES notation for 5-ethenylidene-3-methyl-1-(4-methylphenyl)pyrrolidin-2-one?
The canonical SMILES for 5-ethenylidene-3-methyl-1-(4-methylphenyl)pyrrolidin-2-one is C=C=C1CC(C)C(=O)N1c1ccc(C)cc1.
What is the InChIKey of 5-ethenylidene-3-methyl-1-(4-methylphenyl)pyrrolidin-2-one?
The InChIKey is FSCKOTLOUIIMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO/c1-4-12-9-11(3)14(16)15(12)13-7-5-10(2)6-8-13/h5-8,11H,1,9H2,2-3H3.
What are the key properties of 5-ethenylidene-3-methyl-1-(4-methylphenyl)pyrrolidin-2-one?
5-ethenylidene-3-methyl-1-(4-methylphenyl)pyrrolidin-2-one has a molecular weight of 213.28 g/mol, XLogP of 3.04, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenylidene-3-methyl-1-(4-methylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 170744826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).