4,4-dimethyl-1-phenacylpyrrolidin-2-one

C14H17NO2 — CID 176908615

IUPAC4,4-dimethyl-1-phenacylpyrrolidin-2-one
SMILESCC1(C)CC(=O)N(CC(=O)c2ccccc2)C1
InChIInChI=1S/C14H17NO2/c1-14(2)8-13(17)15(10-14)9-12(16)11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3
InChIKeyYNLVNQLHTRMUDP-UHFFFAOYSA-N
MW231.29 g/mol
LogP2.13
Rot. Bonds3

About 4,4-dimethyl-1-phenacylpyrrolidin-2-one

4,4-dimethyl-1-phenacylpyrrolidin-2-one (PubChem CID 176908615) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is 4,4-dimethyl-1-phenacylpyrrolidin-2-one.

Molecular Properties

Compound Name4,4-dimethyl-1-phenacylpyrrolidin-2-one
PubChem CID176908615
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Name4,4-dimethyl-1-phenacylpyrrolidin-2-one
SMILESCC1(C)CC(=O)N(CC(=O)c2ccccc2)C1
InChIInChI=1S/C14H17NO2/c1-14(2)8-13(17)15(10-14)9-12(16)11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3
InChIKeyYNLVNQLHTRMUDP-UHFFFAOYSA-N
XLogP2.13
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4,4-dimethyl-1-phenacylpyrrolidin-2-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

7,7-dimethyl-9-phenacyl-2-pyridin-4-yl-6,8-dihydropyrimido[1,2-a][1,3,5]triazin-4-one
CID 44595923
1-phenacylpyrrolidine-2,5-dione
CID 717114
6,6-dimethyl-3-phenacyl-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 64688348
4,4-dimethyl-1-[2-(3-methylphenyl)-2-oxoethyl]piperidine-2,6-dione
CID 62934469
8-phenacyl-8-azaspiro[4.5]decane-7,9-dione
CID 46934489
2-(3-methyl-2H-benzimidazol-1-yl)-1-phenylethanone;hydrochloride
CID 173113975
2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1-phenylethanone
CID 63776591
(3R)-3-cyclohexyl-3-methyl-1-phenacylpyrrolidin-2-one
CID 138510318
4-methylsulfinyl-1-phenacylazetidin-2-one
CID 18781970
3-[(2E)-4,4-dimethyl-2-phenacylidenepyrrolidin-1-yl]propanoic acid
CID 10565216
3,3-dimethyl-4-phenacylpiperazin-2-one
CID 55217276
1-phenyl-3-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-one
CID 102744768

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-phenacylpyrrolidin-2-one?
The IUPAC name of 4,4-dimethyl-1-phenacylpyrrolidin-2-one (CID 176908615) is 4,4-dimethyl-1-phenacylpyrrolidin-2-one.
What is the SMILES notation for 4,4-dimethyl-1-phenacylpyrrolidin-2-one?
The canonical SMILES for 4,4-dimethyl-1-phenacylpyrrolidin-2-one is CC1(C)CC(=O)N(CC(=O)c2ccccc2)C1.
What is the InChIKey of 4,4-dimethyl-1-phenacylpyrrolidin-2-one?
The InChIKey is YNLVNQLHTRMUDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-14(2)8-13(17)15(10-14)9-12(16)11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3.
What are the key properties of 4,4-dimethyl-1-phenacylpyrrolidin-2-one?
4,4-dimethyl-1-phenacylpyrrolidin-2-one has a molecular weight of 231.29 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-phenacylpyrrolidin-2-one is sourced from PubChem (CID 176908615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).