3-methyl-1-phenyl-2-pyrrolidin-1-ylbutan-1-one

C15H21NO — CID 69248199

IUPAC3-methyl-1-phenyl-2-pyrrolidin-1-ylbutan-1-one
SMILESCC(C)C(C(=O)c1ccccc1)N1CCCC1
InChIInChI=1S/C15H21NO/c1-12(2)14(16-10-6-7-11-16)15(17)13-8-4-3-5-9-13/h3-5,8-9,12,14H,6-7,10-11H2,1-2H3
InChIKeySLPVYNPNJIYANF-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.99
Rot. Bonds4

About 3-methyl-1-phenyl-2-pyrrolidin-1-ylbutan-1-one

3-methyl-1-phenyl-2-pyrrolidin-1-ylbutan-1-one (PubChem CID 69248199) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 3-methyl-1-phenyl-2-pyrrolidin-1-ylbutan-1-one.

Molecular Properties

Compound Name3-methyl-1-phenyl-2-pyrrolidin-1-ylbutan-1-one
PubChem CID69248199
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name3-methyl-1-phenyl-2-pyrrolidin-1-ylbutan-1-one
SMILESCC(C)C(C(=O)c1ccccc1)N1CCCC1
InChIInChI=1S/C15H21NO/c1-12(2)14(16-10-6-7-11-16)15(17)13-8-4-3-5-9-13/h3-5,8-9,12,14H,6-7,10-11H2,1-2H3
InChIKeySLPVYNPNJIYANF-UHFFFAOYSA-N
XLogP2.99
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-methyl-1-phenyl-2-pyrrolidin-1-ylbutan-1-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

1-phenyl-2-pyrrolidin-1-ylpropan-1-one;hydrochloride
CID 21114962
(2R,3S)-2-methyl-1,3-diphenyl-3-pyrrolidin-1-ylpropan-1-one
CID 10637492
(2S)-1-phenyl-2-pyrrolidin-1-ylpentan-1-one
CID 86310958
(2S)-3-methyl-2-piperidin-1-ylbutanoic acid
CID 42304661
(2S)-2-(azepan-1-yl)-3-methylbutanoic acid
CID 42309998
3-(azepan-1-yl)-2-methyl-1-phenylpropan-1-one
CID 2848399
(2R,7R)-1,8-diphenyl-2,7-di(piperidin-1-yl)octane-1,8-dione
CID 31275145
tert-butyl 3-oxo-3-phenyl-2-pyrrolidin-1-ylpropanoate
CID 70409759
2-(4,4-dimethylazepan-1-yl)-1-phenylpropan-1-one
CID 65282863
2-(4-methylazepan-1-yl)-1-phenylpropan-1-one
CID 63622992
(2R,3R)-2,3-dihydroxy-4-methyl-1-phenylpentan-1-one
CID 134995688
3,3-dimethyl-1-phenyl-2-piperidin-1-ylpent-4-en-1-one
CID 12688218

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-phenyl-2-pyrrolidin-1-ylbutan-1-one?
The IUPAC name of 3-methyl-1-phenyl-2-pyrrolidin-1-ylbutan-1-one (CID 69248199) is 3-methyl-1-phenyl-2-pyrrolidin-1-ylbutan-1-one.
What is the SMILES notation for 3-methyl-1-phenyl-2-pyrrolidin-1-ylbutan-1-one?
The canonical SMILES for 3-methyl-1-phenyl-2-pyrrolidin-1-ylbutan-1-one is CC(C)C(C(=O)c1ccccc1)N1CCCC1.
What is the InChIKey of 3-methyl-1-phenyl-2-pyrrolidin-1-ylbutan-1-one?
The InChIKey is SLPVYNPNJIYANF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-12(2)14(16-10-6-7-11-16)15(17)13-8-4-3-5-9-13/h3-5,8-9,12,14H,6-7,10-11H2,1-2H3.
What are the key properties of 3-methyl-1-phenyl-2-pyrrolidin-1-ylbutan-1-one?
3-methyl-1-phenyl-2-pyrrolidin-1-ylbutan-1-one has a molecular weight of 231.34 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-phenyl-2-pyrrolidin-1-ylbutan-1-one is sourced from PubChem (CID 69248199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).