1-(4-cyclohexylphenyl)pyrrole-2,5-dione

C16H17NO2 — CID 2732148

IUPAC1-(4-cyclohexylphenyl)pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C16H17NO2/c18-15-10-11-16(19)17(15)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h6-12H,1-5H2
InChIKeyFHBLPSBHNPTLLW-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.16
Rot. Bonds2

About 1-(4-cyclohexylphenyl)pyrrole-2,5-dione

1-(4-cyclohexylphenyl)pyrrole-2,5-dione (PubChem CID 2732148) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 1-(4-cyclohexylphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(4-cyclohexylphenyl)pyrrole-2,5-dione
PubChem CID2732148
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name1-(4-cyclohexylphenyl)pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C16H17NO2/c18-15-10-11-16(19)17(15)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h6-12H,1-5H2
InChIKeyFHBLPSBHNPTLLW-UHFFFAOYSA-N
XLogP3.16
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.16
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-(4-cyclohexylphenyl)pyrrole-2,5-dione?
The IUPAC name of 1-(4-cyclohexylphenyl)pyrrole-2,5-dione (CID 2732148) is 1-(4-cyclohexylphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(4-cyclohexylphenyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(4-cyclohexylphenyl)pyrrole-2,5-dione is O=C1C=CC(=O)N1c1ccc(C2CCCCC2)cc1.
What is the InChIKey of 1-(4-cyclohexylphenyl)pyrrole-2,5-dione?
The InChIKey is FHBLPSBHNPTLLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c18-15-10-11-16(19)17(15)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h6-12H,1-5H2.
What are the key properties of 1-(4-cyclohexylphenyl)pyrrole-2,5-dione?
1-(4-cyclohexylphenyl)pyrrole-2,5-dione has a molecular weight of 255.32 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclohexylphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 2732148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).