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

C11H15NO2 — CID 19616649

IUPAC1-cyclohexyl-3-methylpyrrole-2,5-dione
SMILESCC1=CC(=O)N(C2CCCCC2)C1=O
InChIInChI=1S/C11H15NO2/c1-8-7-10(13)12(11(8)14)9-5-3-2-4-6-9/h7,9H,2-6H2,1H3
InChIKeyXXLSBWLCDXNJAQ-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.63
Rot. Bonds1

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

1-cyclohexyl-3-methylpyrrole-2,5-dione (PubChem CID 19616649) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 1-cyclohexyl-3-methylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-cyclohexyl-3-methylpyrrole-2,5-dione
PubChem CID19616649
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name1-cyclohexyl-3-methylpyrrole-2,5-dione
SMILESCC1=CC(=O)N(C2CCCCC2)C1=O
InChIInChI=1S/C11H15NO2/c1-8-7-10(13)12(11(8)14)9-5-3-2-4-6-9/h7,9H,2-6H2,1H3
InChIKeyXXLSBWLCDXNJAQ-UHFFFAOYSA-N
XLogP1.63
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 ≤ 51.63
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-methylpyrrole-2,5-dione?
The IUPAC name of 1-cyclohexyl-3-methylpyrrole-2,5-dione (CID 19616649) is 1-cyclohexyl-3-methylpyrrole-2,5-dione.
What is the SMILES notation for 1-cyclohexyl-3-methylpyrrole-2,5-dione?
The canonical SMILES for 1-cyclohexyl-3-methylpyrrole-2,5-dione is CC1=CC(=O)N(C2CCCCC2)C1=O.
What is the InChIKey of 1-cyclohexyl-3-methylpyrrole-2,5-dione?
The InChIKey is XXLSBWLCDXNJAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-8-7-10(13)12(11(8)14)9-5-3-2-4-6-9/h7,9H,2-6H2,1H3.
What are the key properties of 1-cyclohexyl-3-methylpyrrole-2,5-dione?
1-cyclohexyl-3-methylpyrrole-2,5-dione has a molecular weight of 193.25 g/mol, XLogP of 1.63, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-methylpyrrole-2,5-dione is sourced from PubChem (CID 19616649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).