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

C11H15NO2 — CID 18361637

IUPAC1-(cyclohexylmethyl)pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1CC1CCCCC1
InChIInChI=1S/C11H15NO2/c13-10-6-7-11(14)12(10)8-9-4-2-1-3-5-9/h6-7,9H,1-5,8H2
InChIKeyBLTRCTCTKKJRIC-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.49
Rot. Bonds2

About 1-(cyclohexylmethyl)pyrrole-2,5-dione

1-(cyclohexylmethyl)pyrrole-2,5-dione (PubChem CID 18361637) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(cyclohexylmethyl)pyrrole-2,5-dione
PubChem CID18361637
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name1-(cyclohexylmethyl)pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1CC1CCCCC1
InChIInChI=1S/C11H15NO2/c13-10-6-7-11(14)12(10)8-9-4-2-1-3-5-9/h6-7,9H,1-5,8H2
InChIKeyBLTRCTCTKKJRIC-UHFFFAOYSA-N
XLogP1.49
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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 1-(cyclohexylmethyl)pyrrole-2,5-dione?
The IUPAC name of 1-(cyclohexylmethyl)pyrrole-2,5-dione (CID 18361637) is 1-(cyclohexylmethyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(cyclohexylmethyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(cyclohexylmethyl)pyrrole-2,5-dione is O=C1C=CC(=O)N1CC1CCCCC1.
What is the InChIKey of 1-(cyclohexylmethyl)pyrrole-2,5-dione?
The InChIKey is BLTRCTCTKKJRIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c13-10-6-7-11(14)12(10)8-9-4-2-1-3-5-9/h6-7,9H,1-5,8H2.
What are the key properties of 1-(cyclohexylmethyl)pyrrole-2,5-dione?
1-(cyclohexylmethyl)pyrrole-2,5-dione has a molecular weight of 193.25 g/mol, XLogP of 1.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)pyrrole-2,5-dione is sourced from PubChem (CID 18361637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).