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

C16H17NO3 — CID 132583648

IUPAC3-(2-oxocyclohexyl)-1-phenylpyrrolidine-2,5-dione
SMILESO=C1CCCCC1C1CC(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C16H17NO3/c18-14-9-5-4-8-12(14)13-10-15(19)17(16(13)20)11-6-2-1-3-7-11/h1-3,6-7,12-13H,4-5,8-10H2
InChIKeyFIPUVCRGXNKMBU-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.33
Rot. Bonds2

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

3-(2-oxocyclohexyl)-1-phenylpyrrolidine-2,5-dione (PubChem CID 132583648) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 3-(2-oxocyclohexyl)-1-phenylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(2-oxocyclohexyl)-1-phenylpyrrolidine-2,5-dione
PubChem CID132583648
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name3-(2-oxocyclohexyl)-1-phenylpyrrolidine-2,5-dione
SMILESO=C1CCCCC1C1CC(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C16H17NO3/c18-14-9-5-4-8-12(14)13-10-15(19)17(16(13)20)11-6-2-1-3-7-11/h1-3,6-7,12-13H,4-5,8-10H2
InChIKeyFIPUVCRGXNKMBU-UHFFFAOYSA-N
XLogP2.33
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.33
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
5-Oxo-1,2-diphenylpyrrolidine-2-carboxamide
CID 5106131
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
1,4-Diphenyl-3,4,7,8-tetrahydroquinoline-2,5(1H,6H)-dione
CID 657502

Frequently Asked Questions

What is the IUPAC name of 3-(2-oxocyclohexyl)-1-phenylpyrrolidine-2,5-dione?
The IUPAC name of 3-(2-oxocyclohexyl)-1-phenylpyrrolidine-2,5-dione (CID 132583648) is 3-(2-oxocyclohexyl)-1-phenylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-(2-oxocyclohexyl)-1-phenylpyrrolidine-2,5-dione?
The canonical SMILES for 3-(2-oxocyclohexyl)-1-phenylpyrrolidine-2,5-dione is O=C1CCCCC1C1CC(=O)N(c2ccccc2)C1=O.
What is the InChIKey of 3-(2-oxocyclohexyl)-1-phenylpyrrolidine-2,5-dione?
The InChIKey is FIPUVCRGXNKMBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c18-14-9-5-4-8-12(14)13-10-15(19)17(16(13)20)11-6-2-1-3-7-11/h1-3,6-7,12-13H,4-5,8-10H2.
What are the key properties of 3-(2-oxocyclohexyl)-1-phenylpyrrolidine-2,5-dione?
3-(2-oxocyclohexyl)-1-phenylpyrrolidine-2,5-dione has a molecular weight of 271.32 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxocyclohexyl)-1-phenylpyrrolidine-2,5-dione is sourced from PubChem (CID 132583648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).