1-(4-methylphenyl)-2-pyrrolidin-1-ylpropan-1-one

C14H19NO — CID 6430745

IUPAC1-(4-methylphenyl)-2-pyrrolidin-1-ylpropan-1-one
SMILESCc1ccc(C(=O)C(C)N2CCCC2)cc1
InChIInChI=1S/C14H19NO/c1-11-5-7-13(8-6-11)14(16)12(2)15-9-3-4-10-15/h5-8,12H,3-4,9-10H2,1-2H3
InChIKeyAPSJUNFBAXIXLK-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.66
Rot. Bonds3

About 1-(4-methylphenyl)-2-pyrrolidin-1-ylpropan-1-one

1-(4-methylphenyl)-2-pyrrolidin-1-ylpropan-1-one (PubChem CID 6430745) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 1-(4-methylphenyl)-2-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name1-(4-methylphenyl)-2-pyrrolidin-1-ylpropan-1-one
PubChem CID6430745
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name1-(4-methylphenyl)-2-pyrrolidin-1-ylpropan-1-one
SMILESCc1ccc(C(=O)C(C)N2CCCC2)cc1
InChIInChI=1S/C14H19NO/c1-11-5-7-13(8-6-11)14(16)12(2)15-9-3-4-10-15/h5-8,12H,3-4,9-10H2,1-2H3
InChIKeyAPSJUNFBAXIXLK-UHFFFAOYSA-N
XLogP2.66
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(4-methylphenyl)-2-pyrrolidin-1-ylpropan-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

Tolperisone
CID 5511
Mephedrone
CID 45266826
Diethylpropion
CID 7029
Diethylpropion Hydrochloride
CID 91442
Eperisone
CID 3236
Monomethylpropion
CID 1576
Tolperisone Hydrochloride
CID 92965
Metamfepramone
CID 71872
Alpha-Pyrrolidinopentiophenone
CID 11148955
Naphyrone
CID 11243002
Pyrovalerone
CID 14373
Eperisone Hydrochloride
CID 123698

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-2-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 1-(4-methylphenyl)-2-pyrrolidin-1-ylpropan-1-one (CID 6430745) is 1-(4-methylphenyl)-2-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 1-(4-methylphenyl)-2-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 1-(4-methylphenyl)-2-pyrrolidin-1-ylpropan-1-one is Cc1ccc(C(=O)C(C)N2CCCC2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-2-pyrrolidin-1-ylpropan-1-one?
The InChIKey is APSJUNFBAXIXLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-11-5-7-13(8-6-11)14(16)12(2)15-9-3-4-10-15/h5-8,12H,3-4,9-10H2,1-2H3.
What are the key properties of 1-(4-methylphenyl)-2-pyrrolidin-1-ylpropan-1-one?
1-(4-methylphenyl)-2-pyrrolidin-1-ylpropan-1-one has a molecular weight of 217.31 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-2-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 6430745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).