(4R,5S)-4-(3-chlorophenyl)-1-ethyl-5-methylpyrrolidin-2-one

C13H16ClNO — CID 70931498

IUPAC(4R,5S)-4-(3-chlorophenyl)-1-ethyl-5-methylpyrrolidin-2-one
SMILESCCN1C(=O)C[C@H](c2cccc(Cl)c2)[C@@H]1C
InChIInChI=1S/C13H16ClNO/c1-3-15-9(2)12(8-13(15)16)10-5-4-6-11(14)7-10/h4-7,9,12H,3,8H2,1-2H3/t9-,12-/m0/s1
InChIKeyFDBGKNWRXUQFOZ-CABZTGNLSA-N
MW237.73 g/mol
LogP3.06
Rot. Bonds2

About (4R,5S)-4-(3-chlorophenyl)-1-ethyl-5-methylpyrrolidin-2-one

(4R,5S)-4-(3-chlorophenyl)-1-ethyl-5-methylpyrrolidin-2-one (PubChem CID 70931498) has the molecular formula C13H16ClNO and a molecular weight of 237.73 g/mol. Its IUPAC name is (4R,5S)-4-(3-chlorophenyl)-1-ethyl-5-methylpyrrolidin-2-one.

Molecular Properties

Compound Name(4R,5S)-4-(3-chlorophenyl)-1-ethyl-5-methylpyrrolidin-2-one
PubChem CID70931498
Molecular FormulaC13H16ClNO
Molecular Weight237.73 g/mol
Exact Mass237.09
IUPAC Name(4R,5S)-4-(3-chlorophenyl)-1-ethyl-5-methylpyrrolidin-2-one
SMILESCCN1C(=O)C[C@H](c2cccc(Cl)c2)[C@@H]1C
InChIInChI=1S/C13H16ClNO/c1-3-15-9(2)12(8-13(15)16)10-5-4-6-11(14)7-10/h4-7,9,12H,3,8H2,1-2H3/t9-,12-/m0/s1
InChIKeyFDBGKNWRXUQFOZ-CABZTGNLSA-N
XLogP3.06
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.73
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (4R,5S)-4-(3-chlorophenyl)-1-ethyl-5-methylpyrrolidin-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

(4R,5S)-4-(3,5-dichlorophenyl)-1-ethyl-5-methylpyrrolidin-2-one
CID 70899696
2-[5-(3-chlorophenyl)-1,6-diethyl-3-methyl-2-oxopiperidin-3-yl]acetic acid
CID 123206539
6-(3-chlorophenyl)-3-propyl-1,3-diazinane-2,4-dione
CID 10515936
3-(3-chlorophenyl)-4-ethyl-3H-1,2,4-triazole-5-thione
CID 170919981
2-(3-chlorophenyl)-3-ethyl-5-propylimidazolidin-4-one
CID 83240043
1-[(1S,2R)-2-(3-chlorophenyl)cyclopropyl]ethanone
CID 39239299
(5R)-5-(3-chlorophenyl)-3-ethyl-1,3-oxazolidin-2-one
CID 70899680
(2R,3R)-2-(3-chlorophenyl)-N,1-diethyl-N-methyl-6-oxopiperidine-3-carboxamide
CID 110090490
2-(3-chlorophenyl)cyclopropane-1-carboxylic acid
CID 23423018
3-(3-chlorophenyl)-2-ethylcyclobutan-1-ol
CID 81415357
(3S,4R)-3-(3-chlorophenyl)-4-ethylpyrrolidine
CID 125451676
5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-1-prop-2-enylpiperidin-2-one
CID 141326913

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-4-(3-chlorophenyl)-1-ethyl-5-methylpyrrolidin-2-one?
The IUPAC name of (4R,5S)-4-(3-chlorophenyl)-1-ethyl-5-methylpyrrolidin-2-one (CID 70931498) is (4R,5S)-4-(3-chlorophenyl)-1-ethyl-5-methylpyrrolidin-2-one.
What is the SMILES notation for (4R,5S)-4-(3-chlorophenyl)-1-ethyl-5-methylpyrrolidin-2-one?
The canonical SMILES for (4R,5S)-4-(3-chlorophenyl)-1-ethyl-5-methylpyrrolidin-2-one is CCN1C(=O)C[C@H](c2cccc(Cl)c2)[C@@H]1C.
What is the InChIKey of (4R,5S)-4-(3-chlorophenyl)-1-ethyl-5-methylpyrrolidin-2-one?
The InChIKey is FDBGKNWRXUQFOZ-CABZTGNLSA-N. The full InChI is InChI=1S/C13H16ClNO/c1-3-15-9(2)12(8-13(15)16)10-5-4-6-11(14)7-10/h4-7,9,12H,3,8H2,1-2H3/t9-,12-/m0/s1.
What are the key properties of (4R,5S)-4-(3-chlorophenyl)-1-ethyl-5-methylpyrrolidin-2-one?
(4R,5S)-4-(3-chlorophenyl)-1-ethyl-5-methylpyrrolidin-2-one has a molecular weight of 237.73 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-4-(3-chlorophenyl)-1-ethyl-5-methylpyrrolidin-2-one is sourced from PubChem (CID 70931498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).