3-(4-ethylphenyl)-1-(3-methylpyrrolidin-1-yl)propan-1-one

C16H23NO — CID 110749751

IUPAC3-(4-ethylphenyl)-1-(3-methylpyrrolidin-1-yl)propan-1-one
SMILESCCc1ccc(CCC(=O)N2CCC(C)C2)cc1
InChIInChI=1S/C16H23NO/c1-3-14-4-6-15(7-5-14)8-9-16(18)17-11-10-13(2)12-17/h4-7,13H,3,8-12H2,1-2H3
InChIKeyBOEHPJKYJKUHOI-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.05
Rot. Bonds4

About 3-(4-ethylphenyl)-1-(3-methylpyrrolidin-1-yl)propan-1-one

3-(4-ethylphenyl)-1-(3-methylpyrrolidin-1-yl)propan-1-one (PubChem CID 110749751) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 3-(4-ethylphenyl)-1-(3-methylpyrrolidin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-(4-ethylphenyl)-1-(3-methylpyrrolidin-1-yl)propan-1-one
PubChem CID110749751
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name3-(4-ethylphenyl)-1-(3-methylpyrrolidin-1-yl)propan-1-one
SMILESCCc1ccc(CCC(=O)N2CCC(C)C2)cc1
InChIInChI=1S/C16H23NO/c1-3-14-4-6-15(7-5-14)8-9-16(18)17-11-10-13(2)12-17/h4-7,13H,3,8-12H2,1-2H3
InChIKeyBOEHPJKYJKUHOI-UHFFFAOYSA-N
XLogP3.05
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-(4-ethylphenyl)-1-(3-methylpyrrolidin-1-yl)propan-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-(4-aminopiperidin-1-yl)-3-(4-ethylphenyl)propan-1-one;hydrochloride
CID 119374555
1-(3-aminopiperidin-1-yl)-3-(4-ethylphenyl)propan-1-one
CID 115277223
1-[3-(4-ethylphenyl)propanoyl]-N,N-dimethylpiperidine-4-carboxamide
CID 84514231
1-(3-hydroxy-4-methylpiperidin-1-yl)-3-(4-methylphenyl)propan-1-one
CID 103900134
1-(3-hydroxy-4-methylpiperidin-1-yl)-3-phenylpropan-1-one
CID 103900621
N,N-diethyl-4-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide
CID 134008436
1-[3-(4-ethylphenyl)propanoyl]pyrrolidin-3-one
CID 112536079
1-(2,4-dimethylpiperazin-1-yl)-3-(4-ethylphenyl)propan-1-one
CID 110707794
1-(3-aminopyrrolidin-1-yl)-3-(4-methylphenyl)propan-1-one;hydrochloride
CID 119482522
3-(4-tert-butylphenyl)-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-1-one
CID 111561168
3-(4-bromophenyl)-1-(3-methylsulfonylpyrrolidin-1-yl)propan-1-one
CID 90586896
1-(3-methylpyrrolidin-1-yl)pentan-1-one
CID 68735226

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylphenyl)-1-(3-methylpyrrolidin-1-yl)propan-1-one?
The IUPAC name of 3-(4-ethylphenyl)-1-(3-methylpyrrolidin-1-yl)propan-1-one (CID 110749751) is 3-(4-ethylphenyl)-1-(3-methylpyrrolidin-1-yl)propan-1-one.
What is the SMILES notation for 3-(4-ethylphenyl)-1-(3-methylpyrrolidin-1-yl)propan-1-one?
The canonical SMILES for 3-(4-ethylphenyl)-1-(3-methylpyrrolidin-1-yl)propan-1-one is CCc1ccc(CCC(=O)N2CCC(C)C2)cc1.
What is the InChIKey of 3-(4-ethylphenyl)-1-(3-methylpyrrolidin-1-yl)propan-1-one?
The InChIKey is BOEHPJKYJKUHOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-3-14-4-6-15(7-5-14)8-9-16(18)17-11-10-13(2)12-17/h4-7,13H,3,8-12H2,1-2H3.
What are the key properties of 3-(4-ethylphenyl)-1-(3-methylpyrrolidin-1-yl)propan-1-one?
3-(4-ethylphenyl)-1-(3-methylpyrrolidin-1-yl)propan-1-one has a molecular weight of 245.37 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylphenyl)-1-(3-methylpyrrolidin-1-yl)propan-1-one is sourced from PubChem (CID 110749751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).