3-(2-methylcyclohexyl)pyrrole-2,5-dione

C11H15NO2 — CID 67832248

IUPAC3-(2-methylcyclohexyl)pyrrole-2,5-dione
SMILESCC1CCCCC1C1=CC(=O)NC1=O
InChIInChI=1S/C11H15NO2/c1-7-4-2-3-5-8(7)9-6-10(13)12-11(9)14/h6-8H,2-5H2,1H3,(H,12,13,14)
InChIKeyPAPNVKNEQWGBIE-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.40
Rot. Bonds1

About 3-(2-methylcyclohexyl)pyrrole-2,5-dione

3-(2-methylcyclohexyl)pyrrole-2,5-dione (PubChem CID 67832248) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 3-(2-methylcyclohexyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(2-methylcyclohexyl)pyrrole-2,5-dione
PubChem CID67832248
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name3-(2-methylcyclohexyl)pyrrole-2,5-dione
SMILESCC1CCCCC1C1=CC(=O)NC1=O
InChIInChI=1S/C11H15NO2/c1-7-4-2-3-5-8(7)9-6-10(13)12-11(9)14/h6-8H,2-5H2,1H3,(H,12,13,14)
InChIKeyPAPNVKNEQWGBIE-UHFFFAOYSA-N
XLogP1.40
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.40
H-Bond Donors ≤ 51
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-(2-methylcyclohexyl)pyrrole-2,5-dione?
The IUPAC name of 3-(2-methylcyclohexyl)pyrrole-2,5-dione (CID 67832248) is 3-(2-methylcyclohexyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(2-methylcyclohexyl)pyrrole-2,5-dione?
The canonical SMILES for 3-(2-methylcyclohexyl)pyrrole-2,5-dione is CC1CCCCC1C1=CC(=O)NC1=O.
What is the InChIKey of 3-(2-methylcyclohexyl)pyrrole-2,5-dione?
The InChIKey is PAPNVKNEQWGBIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-7-4-2-3-5-8(7)9-6-10(13)12-11(9)14/h6-8H,2-5H2,1H3,(H,12,13,14).
What are the key properties of 3-(2-methylcyclohexyl)pyrrole-2,5-dione?
3-(2-methylcyclohexyl)pyrrole-2,5-dione has a molecular weight of 193.25 g/mol, XLogP of 1.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylcyclohexyl)pyrrole-2,5-dione is sourced from PubChem (CID 67832248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).