5-methylidene-1-(2-methylprop-2-enoyl)-4-phenylpyrrolidin-2-one

C15H15NO2 — CID 86691034

IUPAC5-methylidene-1-(2-methylprop-2-enoyl)-4-phenylpyrrolidin-2-one
SMILESC=C(C)C(=O)N1C(=C)C(c2ccccc2)CC1=O
InChIInChI=1S/C15H15NO2/c1-10(2)15(18)16-11(3)13(9-14(16)17)12-7-5-4-6-8-12/h4-8,13H,1,3,9H2,2H3
InChIKeyQLCVMMGFOUOEMC-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.62
Rot. Bonds2

About 5-methylidene-1-(2-methylprop-2-enoyl)-4-phenylpyrrolidin-2-one

5-methylidene-1-(2-methylprop-2-enoyl)-4-phenylpyrrolidin-2-one (PubChem CID 86691034) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 5-methylidene-1-(2-methylprop-2-enoyl)-4-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name5-methylidene-1-(2-methylprop-2-enoyl)-4-phenylpyrrolidin-2-one
PubChem CID86691034
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name5-methylidene-1-(2-methylprop-2-enoyl)-4-phenylpyrrolidin-2-one
SMILESC=C(C)C(=O)N1C(=C)C(c2ccccc2)CC1=O
InChIInChI=1S/C15H15NO2/c1-10(2)15(18)16-11(3)13(9-14(16)17)12-7-5-4-6-8-12/h4-8,13H,1,3,9H2,2H3
InChIKeyQLCVMMGFOUOEMC-UHFFFAOYSA-N
XLogP2.62
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-acetyl-4-phenyl-3,4-dihydro-2H-naphthalen-1-one
CID 102165445
methyl 2-oxo-3-phenylcyclopentane-1-carboxylate
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5-(2,5-dioxo-3-phenylpyrrolidin-1-yl)hexanoic acid
CID 82846688
(3R)-1-acetyl-3-phenylpyrrolidin-2-one
CID 6991154
1-acetyl-2-hydroxy-4-phenylpyrrolidin-3-one
CID 15324559
methyl 1-(2-methylprop-2-enoyl)-2-phenylcyclopropane-1-carboxylate
CID 102264441
(2S)-1-(2-methylprop-2-enoyl)-2,3-dihydroindole-2-carboxylic acid
CID 12764226
N-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)acetamide
CID 121221970
2-methylidene-5-phenylbicyclo[2.2.1]heptan-7-one
CID 86069598
2-methylidene-3-phenylcyclopentan-1-one
CID 24978032
N-(4-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide
CID 10220953
1-(2-bromophenyl)-3-phenylpyrrolidine-2,5-dione
CID 60703087

Frequently Asked Questions

What is the IUPAC name of 5-methylidene-1-(2-methylprop-2-enoyl)-4-phenylpyrrolidin-2-one?
The IUPAC name of 5-methylidene-1-(2-methylprop-2-enoyl)-4-phenylpyrrolidin-2-one (CID 86691034) is 5-methylidene-1-(2-methylprop-2-enoyl)-4-phenylpyrrolidin-2-one.
What is the SMILES notation for 5-methylidene-1-(2-methylprop-2-enoyl)-4-phenylpyrrolidin-2-one?
The canonical SMILES for 5-methylidene-1-(2-methylprop-2-enoyl)-4-phenylpyrrolidin-2-one is C=C(C)C(=O)N1C(=C)C(c2ccccc2)CC1=O.
What is the InChIKey of 5-methylidene-1-(2-methylprop-2-enoyl)-4-phenylpyrrolidin-2-one?
The InChIKey is QLCVMMGFOUOEMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c1-10(2)15(18)16-11(3)13(9-14(16)17)12-7-5-4-6-8-12/h4-8,13H,1,3,9H2,2H3.
What are the key properties of 5-methylidene-1-(2-methylprop-2-enoyl)-4-phenylpyrrolidin-2-one?
5-methylidene-1-(2-methylprop-2-enoyl)-4-phenylpyrrolidin-2-one has a molecular weight of 241.29 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylidene-1-(2-methylprop-2-enoyl)-4-phenylpyrrolidin-2-one is sourced from PubChem (CID 86691034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).