(3S)-1-cyclohexyl-3-ethyl-3-[(E)-5-phenylpent-1-enyl]pyrrolidin-2-one

C23H33NO — CID 154732557

IUPAC(3S)-1-cyclohexyl-3-ethyl-3-[(E)-5-phenylpent-1-enyl]pyrrolidin-2-one
SMILESCC[C@@]1(/C=C/CCCc2ccccc2)CCN(C2CCCCC2)C1=O
InChIInChI=1S/C23H33NO/c1-2-23(17-11-5-8-14-20-12-6-3-7-13-20)18-19-24(22(23)25)21-15-9-4-10-16-21/h3,6-7,11-13,17,21H,2,4-5,8-10,14-16,18-19H2,1H3/b17-11+/t23-/m1/s1
InChIKeyNPOCTDWZFDODJB-XMQQHFNTSA-N
MW339.52 g/mol
LogP5.53
Rot. Bonds7

About (3S)-1-cyclohexyl-3-ethyl-3-[(E)-5-phenylpent-1-enyl]pyrrolidin-2-one

(3S)-1-cyclohexyl-3-ethyl-3-[(E)-5-phenylpent-1-enyl]pyrrolidin-2-one (PubChem CID 154732557) has the molecular formula C23H33NO and a molecular weight of 339.52 g/mol. Its IUPAC name is (3S)-1-cyclohexyl-3-ethyl-3-[(E)-5-phenylpent-1-enyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(3S)-1-cyclohexyl-3-ethyl-3-[(E)-5-phenylpent-1-enyl]pyrrolidin-2-one
PubChem CID154732557
Molecular FormulaC23H33NO
Molecular Weight339.52 g/mol
Exact Mass339.26
IUPAC Name(3S)-1-cyclohexyl-3-ethyl-3-[(E)-5-phenylpent-1-enyl]pyrrolidin-2-one
SMILESCC[C@@]1(/C=C/CCCc2ccccc2)CCN(C2CCCCC2)C1=O
InChIInChI=1S/C23H33NO/c1-2-23(17-11-5-8-14-20-12-6-3-7-13-20)18-19-24(22(23)25)21-15-9-4-10-16-21/h3,6-7,11-13,17,21H,2,4-5,8-10,14-16,18-19H2,1H3/b17-11+/t23-/m1/s1
InChIKeyNPOCTDWZFDODJB-XMQQHFNTSA-N
XLogP5.53
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.52
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,5-Dimethyl-3,3-diphenylpyrrolidin-2-one
CID 207584
Spiro-carboxamide scaffold, 13
CID 44143299
2,5-Pyrrolidinedione, 1-(2-phenylethyl)-
CID 95826
AI3-37156
CID 897567
N-Acetylmethamphetamine
CID 526655
3,3-dimethyl-1-[(2S)-2-(5-phenylpentanoyl)pyrrolidin-1-yl]pentane-1,2-dione
CID 9798841
3,3-dimethyl-1-[(2S)-2-(4-phenylbutanoyl)pyrrolidin-1-yl]butane-1,2-dione
CID 9858678
3-Benzyl-1-cyclohexylpyrrolidin-2-one
CID 11673314
N-cyclohexyl-N-ethyl-3-phenylpropanamide
CID 670110
3-Phenyl-1-(pyrrolidin-1-yl)propan-1-one
CID 1533088
Spiro-carboxamide scaffold, 12
CID 44143298
2-ethyl-1-[(3S,4S)-3-phenyl-4-[(4-phenyl-1-piperidyl)methyl]pyrrolidin-1-yl]butan-1-one
CID 489827

Frequently Asked Questions

What is the IUPAC name of (3S)-1-cyclohexyl-3-ethyl-3-[(E)-5-phenylpent-1-enyl]pyrrolidin-2-one?
The IUPAC name of (3S)-1-cyclohexyl-3-ethyl-3-[(E)-5-phenylpent-1-enyl]pyrrolidin-2-one (CID 154732557) is (3S)-1-cyclohexyl-3-ethyl-3-[(E)-5-phenylpent-1-enyl]pyrrolidin-2-one.
What is the SMILES notation for (3S)-1-cyclohexyl-3-ethyl-3-[(E)-5-phenylpent-1-enyl]pyrrolidin-2-one?
The canonical SMILES for (3S)-1-cyclohexyl-3-ethyl-3-[(E)-5-phenylpent-1-enyl]pyrrolidin-2-one is CC[C@@]1(/C=C/CCCc2ccccc2)CCN(C2CCCCC2)C1=O.
What is the InChIKey of (3S)-1-cyclohexyl-3-ethyl-3-[(E)-5-phenylpent-1-enyl]pyrrolidin-2-one?
The InChIKey is NPOCTDWZFDODJB-XMQQHFNTSA-N. The full InChI is InChI=1S/C23H33NO/c1-2-23(17-11-5-8-14-20-12-6-3-7-13-20)18-19-24(22(23)25)21-15-9-4-10-16-21/h3,6-7,11-13,17,21H,2,4-5,8-10,14-16,18-19H2,1H3/b17-11+/t23-/m1/s1.
What are the key properties of (3S)-1-cyclohexyl-3-ethyl-3-[(E)-5-phenylpent-1-enyl]pyrrolidin-2-one?
(3S)-1-cyclohexyl-3-ethyl-3-[(E)-5-phenylpent-1-enyl]pyrrolidin-2-one has a molecular weight of 339.52 g/mol, XLogP of 5.53, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-cyclohexyl-3-ethyl-3-[(E)-5-phenylpent-1-enyl]pyrrolidin-2-one is sourced from PubChem (CID 154732557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).