1-(4-benzoylphenyl)-3,3-dimethylpyrrolidin-2-one

C19H19NO2 — CID 10334584

IUPAC1-(4-benzoylphenyl)-3,3-dimethylpyrrolidin-2-one
SMILESCC1(C)CCN(c2ccc(C(=O)c3ccccc3)cc2)C1=O
InChIInChI=1S/C19H19NO2/c1-19(2)12-13-20(18(19)22)16-10-8-15(9-11-16)17(21)14-6-4-3-5-7-14/h3-11H,12-13H2,1-2H3
InChIKeyZJJGRLXFHCUYCV-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.68
Rot. Bonds3

About 1-(4-benzoylphenyl)-3,3-dimethylpyrrolidin-2-one

1-(4-benzoylphenyl)-3,3-dimethylpyrrolidin-2-one (PubChem CID 10334584) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 1-(4-benzoylphenyl)-3,3-dimethylpyrrolidin-2-one.

Molecular Properties

Compound Name1-(4-benzoylphenyl)-3,3-dimethylpyrrolidin-2-one
PubChem CID10334584
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC Name1-(4-benzoylphenyl)-3,3-dimethylpyrrolidin-2-one
SMILESCC1(C)CCN(c2ccc(C(=O)c3ccccc3)cc2)C1=O
InChIInChI=1S/C19H19NO2/c1-19(2)12-13-20(18(19)22)16-10-8-15(9-11-16)17(21)14-6-4-3-5-7-14/h3-11H,12-13H2,1-2H3
InChIKeyZJJGRLXFHCUYCV-UHFFFAOYSA-N
XLogP3.68
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(aziridin-1-yl)phenyl]-phenylmethanone
CID 102156745
[1-(4-methoxyphenyl)-3-methyl-2-oxopyrrolidin-3-yl] benzoate
CID 130404562
1-(4-fluorophenyl)-3,3-dimethylpiperidin-2-one
CID 146432816
(5R,9R)-9-hydroxy-9-methyl-2-phenyl-2-azaspiro[4.4]nonan-1-one
CID 102522511
diphenylmethanone;ethane
CID 158014879
(3S)-3-benzoyl-1-[3,5-bis(hydroxymethyl)phenyl]-3-methylpyrrolidin-2-one
CID 135291043
diphenylmethanone
CID 3102
[4-(1,3-dioxolan-2-yl)phenyl]-phenylmethanone
CID 24726701
8-benzoyl-2-thiophen-3-yl-2,8-diazaspiro[4.5]decan-1-one
CID 131688555
disodium;diphenylmethanone
CID 19380838
cobalt(2+);diphenylmethanone
CID 19033779
diphenylmethanone;gold
CID 174931146

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzoylphenyl)-3,3-dimethylpyrrolidin-2-one?
The IUPAC name of 1-(4-benzoylphenyl)-3,3-dimethylpyrrolidin-2-one (CID 10334584) is 1-(4-benzoylphenyl)-3,3-dimethylpyrrolidin-2-one.
What is the SMILES notation for 1-(4-benzoylphenyl)-3,3-dimethylpyrrolidin-2-one?
The canonical SMILES for 1-(4-benzoylphenyl)-3,3-dimethylpyrrolidin-2-one is CC1(C)CCN(c2ccc(C(=O)c3ccccc3)cc2)C1=O.
What is the InChIKey of 1-(4-benzoylphenyl)-3,3-dimethylpyrrolidin-2-one?
The InChIKey is ZJJGRLXFHCUYCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO2/c1-19(2)12-13-20(18(19)22)16-10-8-15(9-11-16)17(21)14-6-4-3-5-7-14/h3-11H,12-13H2,1-2H3.
What are the key properties of 1-(4-benzoylphenyl)-3,3-dimethylpyrrolidin-2-one?
1-(4-benzoylphenyl)-3,3-dimethylpyrrolidin-2-one has a molecular weight of 293.37 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzoylphenyl)-3,3-dimethylpyrrolidin-2-one is sourced from PubChem (CID 10334584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).