4-chloro-1-cyclohexylpyrrolidin-2-one

C10H16ClNO — CID 168688489

IUPAC4-chloro-1-cyclohexylpyrrolidin-2-one
SMILESO=C1CC(Cl)CN1C1CCCCC1
InChIInChI=1S/C10H16ClNO/c11-8-6-10(13)12(7-8)9-4-2-1-3-5-9/h8-9H,1-7H2
InChIKeyPTVJSDCNGOYEHC-UHFFFAOYSA-N
MW201.70 g/mol
LogP2.16
Rot. Bonds1

About 4-chloro-1-cyclohexylpyrrolidin-2-one

4-chloro-1-cyclohexylpyrrolidin-2-one (PubChem CID 168688489) has the molecular formula C10H16ClNO and a molecular weight of 201.70 g/mol. Its IUPAC name is 4-chloro-1-cyclohexylpyrrolidin-2-one.

Molecular Properties

Compound Name4-chloro-1-cyclohexylpyrrolidin-2-one
PubChem CID168688489
Molecular FormulaC10H16ClNO
Molecular Weight201.70 g/mol
Exact Mass201.09
IUPAC Name4-chloro-1-cyclohexylpyrrolidin-2-one
SMILESO=C1CC(Cl)CN1C1CCCCC1
InChIInChI=1S/C10H16ClNO/c11-8-6-10(13)12(7-8)9-4-2-1-3-5-9/h8-9H,1-7H2
InChIKeyPTVJSDCNGOYEHC-UHFFFAOYSA-N
XLogP2.16
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.70
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 4-chloro-1-cyclohexylpyrrolidin-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-chloro-1-[4-(trifluoromethyl)cyclohexyl]pyrrolidin-2-one
CID 168688457
(4S)-1-cyclohexyl-4-methylpyrrolidin-2-one
CID 163909402
(3S)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 29451208
1-[(1S,2S)-2-aminocyclohexyl]-4-chloropyrrolidin-2-one
CID 168686792
4-chloro-1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-2-one
CID 168687301
(3R)-1-cyclohexyl-5-oxopyrrolidine-3-carboxylate
CID 6920281
4-amino-1-cyclopentylpyrrolidin-2-one;hydrochloride
CID 72716151
1-cyclohexyl-N'-hydroxy-5-oxopyrrolidine-3-carboximidamide
CID 154733807
(3R)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylate
CID 6942092
(4R)-1-cyclohexyl-4-(hydroxymethyl)pyrrolidin-2-one
CID 42259368
4-chloro-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrrolidin-2-one
CID 168687046
cyclobutyl (3R)-1-cycloheptyl-5-oxopyrrolidine-3-carboxylate
CID 96543978

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-cyclohexylpyrrolidin-2-one?
The IUPAC name of 4-chloro-1-cyclohexylpyrrolidin-2-one (CID 168688489) is 4-chloro-1-cyclohexylpyrrolidin-2-one.
What is the SMILES notation for 4-chloro-1-cyclohexylpyrrolidin-2-one?
The canonical SMILES for 4-chloro-1-cyclohexylpyrrolidin-2-one is O=C1CC(Cl)CN1C1CCCCC1.
What is the InChIKey of 4-chloro-1-cyclohexylpyrrolidin-2-one?
The InChIKey is PTVJSDCNGOYEHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClNO/c11-8-6-10(13)12(7-8)9-4-2-1-3-5-9/h8-9H,1-7H2.
What are the key properties of 4-chloro-1-cyclohexylpyrrolidin-2-one?
4-chloro-1-cyclohexylpyrrolidin-2-one has a molecular weight of 201.70 g/mol, XLogP of 2.16, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-cyclohexylpyrrolidin-2-one is sourced from PubChem (CID 168688489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).