3-cyclohexylpyrrolidine-2,5-dione

C10H15NO2 — CID 12931268

IUPAC3-cyclohexylpyrrolidine-2,5-dione
SMILESO=C1CC(C2CCCCC2)C(=O)N1
InChIInChI=1S/C10H15NO2/c12-9-6-8(10(13)11-9)7-4-2-1-3-5-7/h7-8H,1-6H2,(H,11,12,13)
InChIKeyBZXHUIFWSBTDQK-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.23
Rot. Bonds1

About 3-cyclohexylpyrrolidine-2,5-dione

3-cyclohexylpyrrolidine-2,5-dione (PubChem CID 12931268) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 3-cyclohexylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-cyclohexylpyrrolidine-2,5-dione
PubChem CID12931268
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name3-cyclohexylpyrrolidine-2,5-dione
SMILESO=C1CC(C2CCCCC2)C(=O)N1
InChIInChI=1S/C10H15NO2/c12-9-6-8(10(13)11-9)7-4-2-1-3-5-7/h7-8H,1-6H2,(H,11,12,13)
InChIKeyBZXHUIFWSBTDQK-UHFFFAOYSA-N
XLogP1.23
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-cyclohexylpyrrolidine-2,5-dione 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

3-cyclopentylpyrrolidine-2,5-dione
CID 14918416
3-piperidin-4-ylpyrrolidine-2,5-dione
CID 173255844
3-(1-ethylazepan-4-yl)pyrrolidine-2,5-dione
CID 65076585
3-(7-oxoazepan-2-yl)pyrrolidine-2,5-dione
CID 67860178
3-(1-phenylpiperidin-4-yl)pyrrolidine-2,5-dione
CID 106821036
3-cyclopentyl-4-(4-fluorophenyl)piperidine-2,6-dione
CID 115926974
4-cyclohexyl-3-ethylpiperidine-2,6-dione
CID 79321349
3-(aziridin-2-yl)pyrrolidine-2,5-dione
CID 167096891
3-cyclopentyl-4-(4-methylphenyl)piperidine-2,6-dione
CID 115927013
(4R)-4-cyclohexyl-1,3-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136826185
3-(cyclohexylamino)pyrrolidine-2,5-dione
CID 12550568
(3S)-3-cyclohexylpiperidin-2-one
CID 124514859

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexylpyrrolidine-2,5-dione?
The IUPAC name of 3-cyclohexylpyrrolidine-2,5-dione (CID 12931268) is 3-cyclohexylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-cyclohexylpyrrolidine-2,5-dione?
The canonical SMILES for 3-cyclohexylpyrrolidine-2,5-dione is O=C1CC(C2CCCCC2)C(=O)N1.
What is the InChIKey of 3-cyclohexylpyrrolidine-2,5-dione?
The InChIKey is BZXHUIFWSBTDQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c12-9-6-8(10(13)11-9)7-4-2-1-3-5-7/h7-8H,1-6H2,(H,11,12,13).
What are the key properties of 3-cyclohexylpyrrolidine-2,5-dione?
3-cyclohexylpyrrolidine-2,5-dione has a molecular weight of 181.23 g/mol, XLogP of 1.23, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexylpyrrolidine-2,5-dione is sourced from PubChem (CID 12931268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).