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

C16H18ClNO2 — CID 101349866

IUPAC(3S)-3-(3-chlorophenyl)-1-cyclohexylpyrrolidine-2,5-dione
SMILESO=C1C[C@@H](c2cccc(Cl)c2)C(=O)N1C1CCCCC1
InChIInChI=1S/C16H18ClNO2/c17-12-6-4-5-11(9-12)14-10-15(19)18(16(14)20)13-7-2-1-3-8-13/h4-6,9,13-14H,1-3,7-8,10H2/t14-/m0/s1
InChIKeyHLSHHJISEPYPKK-AWEZNQCLSA-N
MW291.78 g/mol
LogP3.52
Rot. Bonds2

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

(3S)-3-(3-chlorophenyl)-1-cyclohexylpyrrolidine-2,5-dione (PubChem CID 101349866) has the molecular formula C16H18ClNO2 and a molecular weight of 291.78 g/mol. Its IUPAC name is (3S)-3-(3-chlorophenyl)-1-cyclohexylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3S)-3-(3-chlorophenyl)-1-cyclohexylpyrrolidine-2,5-dione
PubChem CID101349866
Molecular FormulaC16H18ClNO2
Molecular Weight291.78 g/mol
Exact Mass291.10
IUPAC Name(3S)-3-(3-chlorophenyl)-1-cyclohexylpyrrolidine-2,5-dione
SMILESO=C1C[C@@H](c2cccc(Cl)c2)C(=O)N1C1CCCCC1
InChIInChI=1S/C16H18ClNO2/c17-12-6-4-5-11(9-12)14-10-15(19)18(16(14)20)13-7-2-1-3-8-13/h4-6,9,13-14H,1-3,7-8,10H2/t14-/m0/s1
InChIKeyHLSHHJISEPYPKK-AWEZNQCLSA-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

(3S)-1-amino-3-(3-chlorophenyl)pyrrolidine-2,5-dione
CID 98170662
(3R)-1-benzyl-3-(3-chlorophenyl)pyrrolidine-2,5-dione
CID 53474672
1-cyclobutyl-3-(4-propan-2-ylphenyl)pyrrolidine-2,5-dione
CID 176647599
1-(4-aminocyclohexyl)-3-phenylpyrrolidine-2,5-dione
CID 61209256
(8aS)-3-(3-chlorophenyl)-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
CID 175408637
3-(3-chlorophenyl)-1-(4-methyl-2-pyridinyl)pyrrolidine-2,5-dione
CID 3076811
4-(3-chlorophenyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 141006073
1-[(1R,2R)-2-aminocyclohexyl]-3-phenylpyrrolidine-2,5-dione
CID 102738905
3-(2-amino-4-chlorophenyl)sulfanyl-1-cyclopentylpyrrolidine-2,5-dione
CID 43638467
3-(3-chlorophenyl)-1-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]pyrrolidine-2,5-dione
CID 46854841
2-(3-chlorophenyl)-3-cyclopentyl-5-propan-2-ylimidazolidin-4-one
CID 83245897
(4aR,7aS)-4-(3-chlorophenyl)-1-cyclohexyl-6,6-dioxo-4a,5,7,7a-tetrahydro-2H-thieno[3,4-b]pyrazin-3-one
CID 51491951

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(3-chlorophenyl)-1-cyclohexylpyrrolidine-2,5-dione?
The IUPAC name of (3S)-3-(3-chlorophenyl)-1-cyclohexylpyrrolidine-2,5-dione (CID 101349866) is (3S)-3-(3-chlorophenyl)-1-cyclohexylpyrrolidine-2,5-dione.
What is the SMILES notation for (3S)-3-(3-chlorophenyl)-1-cyclohexylpyrrolidine-2,5-dione?
The canonical SMILES for (3S)-3-(3-chlorophenyl)-1-cyclohexylpyrrolidine-2,5-dione is O=C1C[C@@H](c2cccc(Cl)c2)C(=O)N1C1CCCCC1.
What is the InChIKey of (3S)-3-(3-chlorophenyl)-1-cyclohexylpyrrolidine-2,5-dione?
The InChIKey is HLSHHJISEPYPKK-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H18ClNO2/c17-12-6-4-5-11(9-12)14-10-15(19)18(16(14)20)13-7-2-1-3-8-13/h4-6,9,13-14H,1-3,7-8,10H2/t14-/m0/s1.
What are the key properties of (3S)-3-(3-chlorophenyl)-1-cyclohexylpyrrolidine-2,5-dione?
(3S)-3-(3-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 (3S)-3-(3-chlorophenyl)-1-cyclohexylpyrrolidine-2,5-dione is sourced from PubChem (CID 101349866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).