2,2-dimethyl-1-(4-phenylbutanoyl)pyrrolidin-3-one

C16H21NO2 — CID 115275193

IUPAC2,2-dimethyl-1-(4-phenylbutanoyl)pyrrolidin-3-one
SMILESCC1(C)C(=O)CCN1C(=O)CCCc1ccccc1
InChIInChI=1S/C16H21NO2/c1-16(2)14(18)11-12-17(16)15(19)10-6-9-13-7-4-3-5-8-13/h3-5,7-8H,6,9-12H2,1-2H3
InChIKeyOPKMYRHAUUKVMB-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.59
Rot. Bonds4

About 2,2-dimethyl-1-(4-phenylbutanoyl)pyrrolidin-3-one

2,2-dimethyl-1-(4-phenylbutanoyl)pyrrolidin-3-one (PubChem CID 115275193) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 2,2-dimethyl-1-(4-phenylbutanoyl)pyrrolidin-3-one.

Molecular Properties

Compound Name2,2-dimethyl-1-(4-phenylbutanoyl)pyrrolidin-3-one
PubChem CID115275193
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name2,2-dimethyl-1-(4-phenylbutanoyl)pyrrolidin-3-one
SMILESCC1(C)C(=O)CCN1C(=O)CCCc1ccccc1
InChIInChI=1S/C16H21NO2/c1-16(2)14(18)11-12-17(16)15(19)10-6-9-13-7-4-3-5-8-13/h3-5,7-8H,6,9-12H2,1-2H3
InChIKeyOPKMYRHAUUKVMB-UHFFFAOYSA-N
XLogP2.59
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,2-dimethyl-1-(4-phenylbutanoyl)pyrrolidin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2-dimethyl-1-[4-(5-methylfuran-2-yl)butanoyl]pyrrolidin-3-one
CID 115275201
5-phenylpentan-2-one
CID 16701
2,2-dimethyl-1-(4-phenylbutanoyl)-3H-quinolin-4-one
CID 167644306
1-(4-methylpiperidin-1-yl)-4-phenylbutan-1-one
CID 1122148
1-(3,3-dimethyl-2H-1,4-benzoxazin-4-yl)-4-phenylbutan-1-one
CID 167692170
1-(4-hydroxyiminopiperidin-1-yl)-4-phenylbutan-1-one
CID 43119536
1-methyl-3-(4-phenylbutanoyl)imidazolidine-2,4-dione
CID 102155035
1-(4-phenylbutanoyl)-4-propyl-1,4-diazepan-5-one
CID 26280630
2,2-dimethyl-1-(2-phenylethyl)piperidin-3-one
CID 117019112
4-phenyl-1-(2,2,4-trimethyl-3H-quinoxalin-1-yl)butan-1-one
CID 167573407
1-(7-hydroxy-2,2-dimethyl-3,4-dihydroquinolin-1-yl)-4-phenylbutan-1-one
CID 167704570
11-phenyl-1-pyrrolidin-1-ylundecan-1-one
CID 10805309

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(4-phenylbutanoyl)pyrrolidin-3-one?
The IUPAC name of 2,2-dimethyl-1-(4-phenylbutanoyl)pyrrolidin-3-one (CID 115275193) is 2,2-dimethyl-1-(4-phenylbutanoyl)pyrrolidin-3-one.
What is the SMILES notation for 2,2-dimethyl-1-(4-phenylbutanoyl)pyrrolidin-3-one?
The canonical SMILES for 2,2-dimethyl-1-(4-phenylbutanoyl)pyrrolidin-3-one is CC1(C)C(=O)CCN1C(=O)CCCc1ccccc1.
What is the InChIKey of 2,2-dimethyl-1-(4-phenylbutanoyl)pyrrolidin-3-one?
The InChIKey is OPKMYRHAUUKVMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-16(2)14(18)11-12-17(16)15(19)10-6-9-13-7-4-3-5-8-13/h3-5,7-8H,6,9-12H2,1-2H3.
What are the key properties of 2,2-dimethyl-1-(4-phenylbutanoyl)pyrrolidin-3-one?
2,2-dimethyl-1-(4-phenylbutanoyl)pyrrolidin-3-one has a molecular weight of 259.35 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(4-phenylbutanoyl)pyrrolidin-3-one is sourced from PubChem (CID 115275193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).