1-cyclohexyl-3,4-diphenylpyrrole-2,5-dione

C22H21NO2 — CID 5242397

IUPAC1-cyclohexyl-3,4-diphenylpyrrole-2,5-dione
SMILESO=C1C(c2ccccc2)=C(c2ccccc2)C(=O)N1C1CCCCC1
InChIInChI=1S/C22H21NO2/c24-21-19(16-10-4-1-5-11-16)20(17-12-6-2-7-13-17)22(25)23(21)18-14-8-3-9-15-18/h1-2,4-7,10-13,18H,3,8-9,14-15H2
InChIKeyGRNPKHZKMCIRIP-UHFFFAOYSA-N
MW331.42 g/mol
LogP4.30
Rot. Bonds3

About 1-cyclohexyl-3,4-diphenylpyrrole-2,5-dione

1-cyclohexyl-3,4-diphenylpyrrole-2,5-dione (PubChem CID 5242397) has the molecular formula C22H21NO2 and a molecular weight of 331.42 g/mol. Its IUPAC name is 1-cyclohexyl-3,4-diphenylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-cyclohexyl-3,4-diphenylpyrrole-2,5-dione
PubChem CID5242397
Molecular FormulaC22H21NO2
Molecular Weight331.42 g/mol
Exact Mass331.16
IUPAC Name1-cyclohexyl-3,4-diphenylpyrrole-2,5-dione
SMILESO=C1C(c2ccccc2)=C(c2ccccc2)C(=O)N1C1CCCCC1
InChIInChI=1S/C22H21NO2/c24-21-19(16-10-4-1-5-11-16)20(17-12-6-2-7-13-17)22(25)23(21)18-14-8-3-9-15-18/h1-2,4-7,10-13,18H,3,8-9,14-15H2
InChIKeyGRNPKHZKMCIRIP-UHFFFAOYSA-N
XLogP4.30
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3,4-diphenylpyrrole-2,5-dione?
The IUPAC name of 1-cyclohexyl-3,4-diphenylpyrrole-2,5-dione (CID 5242397) is 1-cyclohexyl-3,4-diphenylpyrrole-2,5-dione.
What is the SMILES notation for 1-cyclohexyl-3,4-diphenylpyrrole-2,5-dione?
The canonical SMILES for 1-cyclohexyl-3,4-diphenylpyrrole-2,5-dione is O=C1C(c2ccccc2)=C(c2ccccc2)C(=O)N1C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3,4-diphenylpyrrole-2,5-dione?
The InChIKey is GRNPKHZKMCIRIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO2/c24-21-19(16-10-4-1-5-11-16)20(17-12-6-2-7-13-17)22(25)23(21)18-14-8-3-9-15-18/h1-2,4-7,10-13,18H,3,8-9,14-15H2.
What are the key properties of 1-cyclohexyl-3,4-diphenylpyrrole-2,5-dione?
1-cyclohexyl-3,4-diphenylpyrrole-2,5-dione has a molecular weight of 331.42 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3,4-diphenylpyrrole-2,5-dione is sourced from PubChem (CID 5242397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).