4-methyl-1-phenyl-2-pyrrolidin-1-ylpentan-1-one

C16H23NO — CID 59809191

IUPAC4-methyl-1-phenyl-2-pyrrolidin-1-ylpentan-1-one
SMILESCC(C)CC(C(=O)c1ccccc1)N1CCCC1
InChIInChI=1S/C16H23NO/c1-13(2)12-15(17-10-6-7-11-17)16(18)14-8-4-3-5-9-14/h3-5,8-9,13,15H,6-7,10-12H2,1-2H3
InChIKeyUOZWZANRCOALQL-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.38
Rot. Bonds5

About 4-methyl-1-phenyl-2-pyrrolidin-1-ylpentan-1-one

4-methyl-1-phenyl-2-pyrrolidin-1-ylpentan-1-one (PubChem CID 59809191) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 4-methyl-1-phenyl-2-pyrrolidin-1-ylpentan-1-one.

Molecular Properties

Compound Name4-methyl-1-phenyl-2-pyrrolidin-1-ylpentan-1-one
PubChem CID59809191
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name4-methyl-1-phenyl-2-pyrrolidin-1-ylpentan-1-one
SMILESCC(C)CC(C(=O)c1ccccc1)N1CCCC1
InChIInChI=1S/C16H23NO/c1-13(2)12-15(17-10-6-7-11-17)16(18)14-8-4-3-5-9-14/h3-5,8-9,13,15H,6-7,10-12H2,1-2H3
InChIKeyUOZWZANRCOALQL-UHFFFAOYSA-N
XLogP3.38
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-methyl-1-phenyl-2-pyrrolidin-1-ylpentan-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

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-phenyl-2-pyrrolidin-1-ylpentan-1-one?
The IUPAC name of 4-methyl-1-phenyl-2-pyrrolidin-1-ylpentan-1-one (CID 59809191) is 4-methyl-1-phenyl-2-pyrrolidin-1-ylpentan-1-one.
What is the SMILES notation for 4-methyl-1-phenyl-2-pyrrolidin-1-ylpentan-1-one?
The canonical SMILES for 4-methyl-1-phenyl-2-pyrrolidin-1-ylpentan-1-one is CC(C)CC(C(=O)c1ccccc1)N1CCCC1.
What is the InChIKey of 4-methyl-1-phenyl-2-pyrrolidin-1-ylpentan-1-one?
The InChIKey is UOZWZANRCOALQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-13(2)12-15(17-10-6-7-11-17)16(18)14-8-4-3-5-9-14/h3-5,8-9,13,15H,6-7,10-12H2,1-2H3.
What are the key properties of 4-methyl-1-phenyl-2-pyrrolidin-1-ylpentan-1-one?
4-methyl-1-phenyl-2-pyrrolidin-1-ylpentan-1-one has a molecular weight of 245.37 g/mol, XLogP of 3.38, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-phenyl-2-pyrrolidin-1-ylpentan-1-one is sourced from PubChem (CID 59809191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).