(4S)-1-[3-(dimethylamino)propyl]-4-phenylpyrrolidin-2-one

C15H22N2O — CID 746436

IUPAC(4S)-1-[3-(dimethylamino)propyl]-4-phenylpyrrolidin-2-one
SMILESCN(C)CCCN1C[C@H](c2ccccc2)CC1=O
InChIInChI=1S/C15H22N2O/c1-16(2)9-6-10-17-12-14(11-15(17)18)13-7-4-3-5-8-13/h3-5,7-8,14H,6,9-12H2,1-2H3/t14-/m1/s1
InChIKeyILGGUQKGDFTTNF-CQSZACIVSA-N
MW246.35 g/mol
LogP1.95
Rot. Bonds5

About (4S)-1-[3-(dimethylamino)propyl]-4-phenylpyrrolidin-2-one

(4S)-1-[3-(dimethylamino)propyl]-4-phenylpyrrolidin-2-one (PubChem CID 746436) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is (4S)-1-[3-(dimethylamino)propyl]-4-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-1-[3-(dimethylamino)propyl]-4-phenylpyrrolidin-2-one
PubChem CID746436
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name(4S)-1-[3-(dimethylamino)propyl]-4-phenylpyrrolidin-2-one
SMILESCN(C)CCCN1C[C@H](c2ccccc2)CC1=O
InChIInChI=1S/C15H22N2O/c1-16(2)9-6-10-17-12-14(11-15(17)18)13-7-4-3-5-8-13/h3-5,7-8,14H,6,9-12H2,1-2H3/t14-/m1/s1
InChIKeyILGGUQKGDFTTNF-CQSZACIVSA-N
XLogP1.95
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4S)-1-[3-(dimethylamino)propyl]-4-phenylpyrrolidin-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

4-phenyl-1-propylpyrrolidin-2-one
CID 13362249
dimethyl-[3-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]propyl]azanium
CID 6936015
(3R)-1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxylic acid
CID 735293
(4S)-1-methyl-4-phenylpyrrolidin-2-one
CID 67575934
N-benzyl-1-[3-(dimethylamino)propyl]-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 113183127
N-(4-anilinophenyl)-1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxamide
CID 108787376
1-[(4-methylphenyl)methyl]-4-phenylpyrrolidin-2-one
CID 155799488
(2S)-2-[[1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carbonyl]amino]-2-phenylacetic acid
CID 108800383
1-[3-(dimethylamino)propyl]-N-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 108787450
2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]acetamide
CID 781884
3-[4-(dimethylamino)butyl]-5-phenylimidazolidin-4-one
CID 83246148
(4S)-1-[3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propyl]-4-(4-methoxyphenyl)pyrrolidin-2-one
CID 7343338

Frequently Asked Questions

What is the IUPAC name of (4S)-1-[3-(dimethylamino)propyl]-4-phenylpyrrolidin-2-one?
The IUPAC name of (4S)-1-[3-(dimethylamino)propyl]-4-phenylpyrrolidin-2-one (CID 746436) is (4S)-1-[3-(dimethylamino)propyl]-4-phenylpyrrolidin-2-one.
What is the SMILES notation for (4S)-1-[3-(dimethylamino)propyl]-4-phenylpyrrolidin-2-one?
The canonical SMILES for (4S)-1-[3-(dimethylamino)propyl]-4-phenylpyrrolidin-2-one is CN(C)CCCN1C[C@H](c2ccccc2)CC1=O.
What is the InChIKey of (4S)-1-[3-(dimethylamino)propyl]-4-phenylpyrrolidin-2-one?
The InChIKey is ILGGUQKGDFTTNF-CQSZACIVSA-N. The full InChI is InChI=1S/C15H22N2O/c1-16(2)9-6-10-17-12-14(11-15(17)18)13-7-4-3-5-8-13/h3-5,7-8,14H,6,9-12H2,1-2H3/t14-/m1/s1.
What are the key properties of (4S)-1-[3-(dimethylamino)propyl]-4-phenylpyrrolidin-2-one?
(4S)-1-[3-(dimethylamino)propyl]-4-phenylpyrrolidin-2-one has a molecular weight of 246.35 g/mol, XLogP of 1.95, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-[3-(dimethylamino)propyl]-4-phenylpyrrolidin-2-one is sourced from PubChem (CID 746436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).