3-(5-methyl-2-oxocyclohexyl)-1-phenylpyrrolidine-2,5-dione

C17H19NO3 — CID 162676470

IUPAC3-(5-methyl-2-oxocyclohexyl)-1-phenylpyrrolidine-2,5-dione
SMILESCC1CCC(=O)C(C2CC(=O)N(c3ccccc3)C2=O)C1
InChIInChI=1S/C17H19NO3/c1-11-7-8-15(19)13(9-11)14-10-16(20)18(17(14)21)12-5-3-2-4-6-12/h2-6,11,13-14H,7-10H2,1H3
InChIKeyVKLGLUOVIPBMDA-UHFFFAOYSA-N
MW285.34 g/mol
LogP2.57
Rot. Bonds2

About 3-(5-methyl-2-oxocyclohexyl)-1-phenylpyrrolidine-2,5-dione

3-(5-methyl-2-oxocyclohexyl)-1-phenylpyrrolidine-2,5-dione (PubChem CID 162676470) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is 3-(5-methyl-2-oxocyclohexyl)-1-phenylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(5-methyl-2-oxocyclohexyl)-1-phenylpyrrolidine-2,5-dione
PubChem CID162676470
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name3-(5-methyl-2-oxocyclohexyl)-1-phenylpyrrolidine-2,5-dione
SMILESCC1CCC(=O)C(C2CC(=O)N(c3ccccc3)C2=O)C1
InChIInChI=1S/C17H19NO3/c1-11-7-8-15(19)13(9-11)14-10-16(20)18(17(14)21)12-5-3-2-4-6-12/h2-6,11,13-14H,7-10H2,1H3
InChIKeyVKLGLUOVIPBMDA-UHFFFAOYSA-N
XLogP2.57
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ST4026792
CID 556822
2-(2-ethylphenyl)-3a,4,7,7a-tetrahydro-1H-4,7-ethanoisoindole-1,3(2H)-dione
CID 2872879
1-(2,5-Dimethylphenyl)-3-[(3,5-dimethylphenyl)methyl]pyrrolidine-2,5-dione
CID 2846955
2-(4-fluorophenyl)-3a,4,7,7a-tetrahydro-1H-4,7-ethanoisoindole-1,3(2H)-dione
CID 2860972
1-Phenyl-3-(1-phenylethyl)pyrrolidine-2,5-dione
CID 2865487
1-(2,5-Dimethylphenyl)-3-methyl-4-(4-methylbenzyl)pyrrolidine-2,5-dione
CID 2865614
1-(4-Tert-butylphenyl)-3-phenylpyrrolidine-2,5-dione
CID 2825989
3-(3,5-Dimethylbenzyl)-1-(4-methylphenyl)-2,5-pyrrolidinedione
CID 2974536
Succinimide, 2-benzyl-N-phenyl-
CID 622117
2-(4-fluorophenyl)-3a,3b,4,5,6,7,8,9,9a,9b-decahydro-1H-dicyclopenta[e,g]isoindole-1,3(2H)-dione
CID 650964
3-(3-Methylbenzyl)-1-phenyl-2,5-pyrrolidinedione
CID 2865632
2-(2-ethylphenyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
CID 2925482

Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-2-oxocyclohexyl)-1-phenylpyrrolidine-2,5-dione?
The IUPAC name of 3-(5-methyl-2-oxocyclohexyl)-1-phenylpyrrolidine-2,5-dione (CID 162676470) is 3-(5-methyl-2-oxocyclohexyl)-1-phenylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-(5-methyl-2-oxocyclohexyl)-1-phenylpyrrolidine-2,5-dione?
The canonical SMILES for 3-(5-methyl-2-oxocyclohexyl)-1-phenylpyrrolidine-2,5-dione is CC1CCC(=O)C(C2CC(=O)N(c3ccccc3)C2=O)C1.
What is the InChIKey of 3-(5-methyl-2-oxocyclohexyl)-1-phenylpyrrolidine-2,5-dione?
The InChIKey is VKLGLUOVIPBMDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-11-7-8-15(19)13(9-11)14-10-16(20)18(17(14)21)12-5-3-2-4-6-12/h2-6,11,13-14H,7-10H2,1H3.
What are the key properties of 3-(5-methyl-2-oxocyclohexyl)-1-phenylpyrrolidine-2,5-dione?
3-(5-methyl-2-oxocyclohexyl)-1-phenylpyrrolidine-2,5-dione has a molecular weight of 285.34 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-2-oxocyclohexyl)-1-phenylpyrrolidine-2,5-dione is sourced from PubChem (CID 162676470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).