1-cyclohexyl-3-phenylpyrrolidine-2,5-dione

C16H19NO2 — CID 3071965

IUPAC1-cyclohexyl-3-phenylpyrrolidine-2,5-dione
SMILESO=C1CC(c2ccccc2)C(=O)N1C1CCCCC1
InChIInChI=1S/C16H19NO2/c18-15-11-14(12-7-3-1-4-8-12)16(19)17(15)13-9-5-2-6-10-13/h1,3-4,7-8,13-14H,2,5-6,9-11H2
InChIKeyAAQHKLOKUPVTJI-UHFFFAOYSA-N
MW257.33 g/mol
LogP2.86
Rot. Bonds2

About 1-cyclohexyl-3-phenylpyrrolidine-2,5-dione

1-cyclohexyl-3-phenylpyrrolidine-2,5-dione (PubChem CID 3071965) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 1-cyclohexyl-3-phenylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-cyclohexyl-3-phenylpyrrolidine-2,5-dione
PubChem CID3071965
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name1-cyclohexyl-3-phenylpyrrolidine-2,5-dione
SMILESO=C1CC(c2ccccc2)C(=O)N1C1CCCCC1
InChIInChI=1S/C16H19NO2/c18-15-11-14(12-7-3-1-4-8-12)16(19)17(15)13-9-5-2-6-10-13/h1,3-4,7-8,13-14H,2,5-6,9-11H2
InChIKeyAAQHKLOKUPVTJI-UHFFFAOYSA-N
XLogP2.86
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 52.86
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 1-cyclohexyl-3-phenylpyrrolidine-2,5-dione?
The IUPAC name of 1-cyclohexyl-3-phenylpyrrolidine-2,5-dione (CID 3071965) is 1-cyclohexyl-3-phenylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-cyclohexyl-3-phenylpyrrolidine-2,5-dione?
The canonical SMILES for 1-cyclohexyl-3-phenylpyrrolidine-2,5-dione is O=C1CC(c2ccccc2)C(=O)N1C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-phenylpyrrolidine-2,5-dione?
The InChIKey is AAQHKLOKUPVTJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c18-15-11-14(12-7-3-1-4-8-12)16(19)17(15)13-9-5-2-6-10-13/h1,3-4,7-8,13-14H,2,5-6,9-11H2.
What are the key properties of 1-cyclohexyl-3-phenylpyrrolidine-2,5-dione?
1-cyclohexyl-3-phenylpyrrolidine-2,5-dione has a molecular weight of 257.33 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-phenylpyrrolidine-2,5-dione is sourced from PubChem (CID 3071965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).