3-(2-chlorophenyl)-1-cyclohexylpyrrolidine-2,5-dione

C16H18ClNO2 — CID 3071967

IUPAC3-(2-chlorophenyl)-1-cyclohexylpyrrolidine-2,5-dione
SMILESO=C1CC(c2ccccc2Cl)C(=O)N1C1CCCCC1
InChIInChI=1S/C16H18ClNO2/c17-14-9-5-4-8-12(14)13-10-15(19)18(16(13)20)11-6-2-1-3-7-11/h4-5,8-9,11,13H,1-3,6-7,10H2
InChIKeyINBBSMREHJIPBM-UHFFFAOYSA-N
MW291.78 g/mol
LogP3.52
Rot. Bonds2

About 3-(2-chlorophenyl)-1-cyclohexylpyrrolidine-2,5-dione

3-(2-chlorophenyl)-1-cyclohexylpyrrolidine-2,5-dione (PubChem CID 3071967) has the molecular formula C16H18ClNO2 and a molecular weight of 291.78 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-1-cyclohexylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(2-chlorophenyl)-1-cyclohexylpyrrolidine-2,5-dione
PubChem CID3071967
Molecular FormulaC16H18ClNO2
Molecular Weight291.78 g/mol
Exact Mass291.10
IUPAC Name3-(2-chlorophenyl)-1-cyclohexylpyrrolidine-2,5-dione
SMILESO=C1CC(c2ccccc2Cl)C(=O)N1C1CCCCC1
InChIInChI=1S/C16H18ClNO2/c17-14-9-5-4-8-12(14)13-10-15(19)18(16(13)20)11-6-2-1-3-7-11/h4-5,8-9,11,13H,1-3,6-7,10H2
InChIKeyINBBSMREHJIPBM-UHFFFAOYSA-N
XLogP3.52
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Bidisomide
CID 59798
N-[2-(2-chlorophenyl)ethyl]-1-cyclohexyl-5-oxo-3-pyrrolidinecarboxamide
CID 2926616
Spiro-carboxamide scaffold, 6
CID 44143292
Spiro-carboxamide scaffold, 9
CID 44143295
2-(2-Chloro-6-fluorophenyl)-1-pyrrolidin-1-ylethanone
CID 974099
[1-(4-Chlorophenyl)cyclopropyl]-(3-phenylpyrrolidin-1-yl)methanone
CID 11659861
2-(4-Chloro-phenyl)-1-(2-pyrrolidin-1-ylmethyl-piperidin-1-yl)-ethanone(HCl)
CID 14810963
3-(2-Chlorophenyl)-4-(4-chlorophenyl)pyrrolidin-2-one
CID 21539375
3-(4-Chloro-phenyl)-1-(1-phenyl-2-pyrrolidin-1-yl-ethyl)-1,3,4,7-tetrahydro-azepin-2-one
CID 22573206
4-p-Chlorophenyl-3-phenyl-2-pyrrolidinone
CID 54345800
4-(3-Chlorophenyl)-3-phenylpyrrolidin-2-one
CID 54377055
[1-(4-chlorophenyl)cyclopropyl]-[(3R)-3-phenylpyrrolidin-1-yl]methanone
CID 66661845

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-1-cyclohexylpyrrolidine-2,5-dione?
The IUPAC name of 3-(2-chlorophenyl)-1-cyclohexylpyrrolidine-2,5-dione (CID 3071967) is 3-(2-chlorophenyl)-1-cyclohexylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-(2-chlorophenyl)-1-cyclohexylpyrrolidine-2,5-dione?
The canonical SMILES for 3-(2-chlorophenyl)-1-cyclohexylpyrrolidine-2,5-dione is O=C1CC(c2ccccc2Cl)C(=O)N1C1CCCCC1.
What is the InChIKey of 3-(2-chlorophenyl)-1-cyclohexylpyrrolidine-2,5-dione?
The InChIKey is INBBSMREHJIPBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO2/c17-14-9-5-4-8-12(14)13-10-15(19)18(16(13)20)11-6-2-1-3-7-11/h4-5,8-9,11,13H,1-3,6-7,10H2.
What are the key properties of 3-(2-chlorophenyl)-1-cyclohexylpyrrolidine-2,5-dione?
3-(2-chlorophenyl)-1-cyclohexylpyrrolidine-2,5-dione has a molecular weight of 291.78 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-1-cyclohexylpyrrolidine-2,5-dione is sourced from PubChem (CID 3071967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).