1-(2,3-ditert-butylcyclopentyl)pyrrole-2,5-dione

C17H27NO2 — CID 18439132

IUPAC1-(2,3-ditert-butylcyclopentyl)pyrrole-2,5-dione
SMILESCC(C)(C)C1CCC(N2C(=O)C=CC2=O)C1C(C)(C)C
InChIInChI=1S/C17H27NO2/c1-16(2,3)11-7-8-12(15(11)17(4,5)6)18-13(19)9-10-14(18)20/h9-12,15H,7-8H2,1-6H3
InChIKeyRGPVRXDLXHTVBZ-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.40
Rot. Bonds1

About 1-(2,3-ditert-butylcyclopentyl)pyrrole-2,5-dione

1-(2,3-ditert-butylcyclopentyl)pyrrole-2,5-dione (PubChem CID 18439132) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-(2,3-ditert-butylcyclopentyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(2,3-ditert-butylcyclopentyl)pyrrole-2,5-dione
PubChem CID18439132
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name1-(2,3-ditert-butylcyclopentyl)pyrrole-2,5-dione
SMILESCC(C)(C)C1CCC(N2C(=O)C=CC2=O)C1C(C)(C)C
InChIInChI=1S/C17H27NO2/c1-16(2,3)11-7-8-12(15(11)17(4,5)6)18-13(19)9-10-14(18)20/h9-12,15H,7-8H2,1-6H3
InChIKeyRGPVRXDLXHTVBZ-UHFFFAOYSA-N
XLogP3.40
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(2,3-ditert-butylcyclopentyl)pyrrole-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-bornyl maleimide
CID 123301575
1-(2-Ethylcyclopentyl)pyrrole-2,5-dione
CID 18439063
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-(2,3,4-Triethylcyclopentyl)pyrrole-2,5-dione
CID 18439134
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
1-(2,3,4-Tritert-butylcyclopentyl)pyrrole-2,5-dione
CID 18439146

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-ditert-butylcyclopentyl)pyrrole-2,5-dione?
The IUPAC name of 1-(2,3-ditert-butylcyclopentyl)pyrrole-2,5-dione (CID 18439132) is 1-(2,3-ditert-butylcyclopentyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(2,3-ditert-butylcyclopentyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(2,3-ditert-butylcyclopentyl)pyrrole-2,5-dione is CC(C)(C)C1CCC(N2C(=O)C=CC2=O)C1C(C)(C)C.
What is the InChIKey of 1-(2,3-ditert-butylcyclopentyl)pyrrole-2,5-dione?
The InChIKey is RGPVRXDLXHTVBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-16(2,3)11-7-8-12(15(11)17(4,5)6)18-13(19)9-10-14(18)20/h9-12,15H,7-8H2,1-6H3.
What are the key properties of 1-(2,3-ditert-butylcyclopentyl)pyrrole-2,5-dione?
1-(2,3-ditert-butylcyclopentyl)pyrrole-2,5-dione has a molecular weight of 277.41 g/mol, XLogP of 3.40, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-ditert-butylcyclopentyl)pyrrole-2,5-dione is sourced from PubChem (CID 18439132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).