1-(2,3,4-triethylcyclopentyl)pyrrole-2,5-dione

C15H23NO2 — CID 18439134

IUPAC1-(2,3,4-triethylcyclopentyl)pyrrole-2,5-dione
SMILESCCC1CC(N2C(=O)C=CC2=O)C(CC)C1CC
InChIInChI=1S/C15H23NO2/c1-4-10-9-13(12(6-3)11(10)5-2)16-14(17)7-8-15(16)18/h7-8,10-13H,4-6,9H2,1-3H3
InChIKeyVRYSLBXTMCIMDI-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.76
Rot. Bonds4

About 1-(2,3,4-triethylcyclopentyl)pyrrole-2,5-dione

1-(2,3,4-triethylcyclopentyl)pyrrole-2,5-dione (PubChem CID 18439134) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 1-(2,3,4-triethylcyclopentyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(2,3,4-triethylcyclopentyl)pyrrole-2,5-dione
PubChem CID18439134
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name1-(2,3,4-triethylcyclopentyl)pyrrole-2,5-dione
SMILESCCC1CC(N2C(=O)C=CC2=O)C(CC)C1CC
InChIInChI=1S/C15H23NO2/c1-4-10-9-13(12(6-3)11(10)5-2)16-14(17)7-8-15(16)18/h7-8,10-13H,4-6,9H2,1-3H3
InChIKeyVRYSLBXTMCIMDI-UHFFFAOYSA-N
XLogP2.76
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-bornyl maleimide
CID 123301575
1-(2-Ethylcyclopentyl)pyrrole-2,5-dione
CID 18439063
1-(2-Methylcyclopentyl)pyrrole-2,5-dione
CID 18439076
1-(2-Tert-butylcyclopentyl)pyrrole-2,5-dione
CID 18439118
1-(2,3-Diethylcyclopentyl)pyrrole-2,5-dione
CID 18439120
1-(2,3-Dimethylcyclopentyl)pyrrole-2,5-dione
CID 18439126
1-(2,3-Dibutylcyclopentyl)pyrrole-2,5-dione
CID 18439128
1-(2,3-Dipropylcyclopentyl)pyrrole-2,5-dione
CID 18439130
1-(2,3-Ditert-butylcyclopentyl)pyrrole-2,5-dione
CID 18439132
1-(2,3,4-Trimethylcyclopentyl)pyrrole-2,5-dione
CID 18439140
1-(2,3,4-Tributylcyclopentyl)pyrrole-2,5-dione
CID 18439142
1-(2,3,4-Tripropylcyclopentyl)pyrrole-2,5-dione
CID 18439144

Frequently Asked Questions

What is the IUPAC name of 1-(2,3,4-triethylcyclopentyl)pyrrole-2,5-dione?
The IUPAC name of 1-(2,3,4-triethylcyclopentyl)pyrrole-2,5-dione (CID 18439134) is 1-(2,3,4-triethylcyclopentyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(2,3,4-triethylcyclopentyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(2,3,4-triethylcyclopentyl)pyrrole-2,5-dione is CCC1CC(N2C(=O)C=CC2=O)C(CC)C1CC.
What is the InChIKey of 1-(2,3,4-triethylcyclopentyl)pyrrole-2,5-dione?
The InChIKey is VRYSLBXTMCIMDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-4-10-9-13(12(6-3)11(10)5-2)16-14(17)7-8-15(16)18/h7-8,10-13H,4-6,9H2,1-3H3.
What are the key properties of 1-(2,3,4-triethylcyclopentyl)pyrrole-2,5-dione?
1-(2,3,4-triethylcyclopentyl)pyrrole-2,5-dione has a molecular weight of 249.35 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,4-triethylcyclopentyl)pyrrole-2,5-dione is sourced from PubChem (CID 18439134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).