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

C11H15NO2 — CID 67614452

IUPAC3-(cyclohexylmethyl)pyrrole-2,5-dione
SMILESO=C1C=C(CC2CCCCC2)C(=O)N1
InChIInChI=1S/C11H15NO2/c13-10-7-9(11(14)12-10)6-8-4-2-1-3-5-8/h7-8H,1-6H2,(H,12,13,14)
InChIKeyICZMCZOEFGFEQS-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.54
Rot. Bonds2

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

3-(cyclohexylmethyl)pyrrole-2,5-dione (PubChem CID 67614452) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 3-(cyclohexylmethyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(cyclohexylmethyl)pyrrole-2,5-dione
PubChem CID67614452
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name3-(cyclohexylmethyl)pyrrole-2,5-dione
SMILESO=C1C=C(CC2CCCCC2)C(=O)N1
InChIInChI=1S/C11H15NO2/c13-10-7-9(11(14)12-10)6-8-4-2-1-3-5-8/h7-8H,1-6H2,(H,12,13,14)
InChIKeyICZMCZOEFGFEQS-UHFFFAOYSA-N
XLogP1.54
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.54
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-(cyclohexylmethyl)pyrrole-2,5-dione?
The IUPAC name of 3-(cyclohexylmethyl)pyrrole-2,5-dione (CID 67614452) is 3-(cyclohexylmethyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(cyclohexylmethyl)pyrrole-2,5-dione?
The canonical SMILES for 3-(cyclohexylmethyl)pyrrole-2,5-dione is O=C1C=C(CC2CCCCC2)C(=O)N1.
What is the InChIKey of 3-(cyclohexylmethyl)pyrrole-2,5-dione?
The InChIKey is ICZMCZOEFGFEQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c13-10-7-9(11(14)12-10)6-8-4-2-1-3-5-8/h7-8H,1-6H2,(H,12,13,14).
What are the key properties of 3-(cyclohexylmethyl)pyrrole-2,5-dione?
3-(cyclohexylmethyl)pyrrole-2,5-dione has a molecular weight of 193.25 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylmethyl)pyrrole-2,5-dione is sourced from PubChem (CID 67614452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).