3-(4-chlorophenyl)-1-cyclohexylpyrrolidine-2,5-dione

C16H18ClNO2 — CID 3071966

IUPAC3-(4-chlorophenyl)-1-cyclohexylpyrrolidine-2,5-dione
SMILESO=C1CC(c2ccc(Cl)cc2)C(=O)N1C1CCCCC1
InChIInChI=1S/C16H18ClNO2/c17-12-8-6-11(7-9-12)14-10-15(19)18(16(14)20)13-4-2-1-3-5-13/h6-9,13-14H,1-5,10H2
InChIKeyMCUKORKSQMMROT-UHFFFAOYSA-N
MW291.78 g/mol
LogP3.52
Rot. Bonds2

About 3-(4-chlorophenyl)-1-cyclohexylpyrrolidine-2,5-dione

3-(4-chlorophenyl)-1-cyclohexylpyrrolidine-2,5-dione (PubChem CID 3071966) has the molecular formula C16H18ClNO2 and a molecular weight of 291.78 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-cyclohexylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1-cyclohexylpyrrolidine-2,5-dione
PubChem CID3071966
Molecular FormulaC16H18ClNO2
Molecular Weight291.78 g/mol
Exact Mass291.10
IUPAC Name3-(4-chlorophenyl)-1-cyclohexylpyrrolidine-2,5-dione
SMILESO=C1CC(c2ccc(Cl)cc2)C(=O)N1C1CCCCC1
InChIInChI=1S/C16H18ClNO2/c17-12-8-6-11(7-9-12)14-10-15(19)18(16(14)20)13-4-2-1-3-5-13/h6-9,13-14H,1-5,10H2
InChIKeyMCUKORKSQMMROT-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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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1-cyclohexylpyrrolidine-2,5-dione?
The IUPAC name of 3-(4-chlorophenyl)-1-cyclohexylpyrrolidine-2,5-dione (CID 3071966) is 3-(4-chlorophenyl)-1-cyclohexylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-(4-chlorophenyl)-1-cyclohexylpyrrolidine-2,5-dione?
The canonical SMILES for 3-(4-chlorophenyl)-1-cyclohexylpyrrolidine-2,5-dione is O=C1CC(c2ccc(Cl)cc2)C(=O)N1C1CCCCC1.
What is the InChIKey of 3-(4-chlorophenyl)-1-cyclohexylpyrrolidine-2,5-dione?
The InChIKey is MCUKORKSQMMROT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO2/c17-12-8-6-11(7-9-12)14-10-15(19)18(16(14)20)13-4-2-1-3-5-13/h6-9,13-14H,1-5,10H2.
What are the key properties of 3-(4-chlorophenyl)-1-cyclohexylpyrrolidine-2,5-dione?
3-(4-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-(4-chlorophenyl)-1-cyclohexylpyrrolidine-2,5-dione is sourced from PubChem (CID 3071966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).