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

C11H15NO2 — CID 13230795

IUPAC3-cyclohexyl-1-methylpyrrole-2,5-dione
SMILESCN1C(=O)C=C(C2CCCCC2)C1=O
InChIInChI=1S/C11H15NO2/c1-12-10(13)7-9(11(12)14)8-5-3-2-4-6-8/h7-8H,2-6H2,1H3
InChIKeyRLJOATBRWCTALY-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.49
Rot. Bonds1

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

3-cyclohexyl-1-methylpyrrole-2,5-dione (PubChem CID 13230795) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 3-cyclohexyl-1-methylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-cyclohexyl-1-methylpyrrole-2,5-dione
PubChem CID13230795
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name3-cyclohexyl-1-methylpyrrole-2,5-dione
SMILESCN1C(=O)C=C(C2CCCCC2)C1=O
InChIInChI=1S/C11H15NO2/c1-12-10(13)7-9(11(12)14)8-5-3-2-4-6-8/h7-8H,2-6H2,1H3
InChIKeyRLJOATBRWCTALY-UHFFFAOYSA-N
XLogP1.49
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.49
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 3-cyclohexyl-1-methylpyrrole-2,5-dione?
The IUPAC name of 3-cyclohexyl-1-methylpyrrole-2,5-dione (CID 13230795) is 3-cyclohexyl-1-methylpyrrole-2,5-dione.
What is the SMILES notation for 3-cyclohexyl-1-methylpyrrole-2,5-dione?
The canonical SMILES for 3-cyclohexyl-1-methylpyrrole-2,5-dione is CN1C(=O)C=C(C2CCCCC2)C1=O.
What is the InChIKey of 3-cyclohexyl-1-methylpyrrole-2,5-dione?
The InChIKey is RLJOATBRWCTALY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-12-10(13)7-9(11(12)14)8-5-3-2-4-6-8/h7-8H,2-6H2,1H3.
What are the key properties of 3-cyclohexyl-1-methylpyrrole-2,5-dione?
3-cyclohexyl-1-methylpyrrole-2,5-dione has a molecular weight of 193.25 g/mol, XLogP of 1.49, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-methylpyrrole-2,5-dione is sourced from PubChem (CID 13230795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).