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

C12H17NO2 — CID 18439140

IUPAC1-(2,3,4-trimethylcyclopentyl)pyrrole-2,5-dione
SMILESCC1CC(N2C(=O)C=CC2=O)C(C)C1C
InChIInChI=1S/C12H17NO2/c1-7-6-10(9(3)8(7)2)13-11(14)4-5-12(13)15/h4-5,7-10H,6H2,1-3H3
InChIKeyFCBCZTCJMJVPRY-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.59
Rot. Bonds1

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

1-(2,3,4-trimethylcyclopentyl)pyrrole-2,5-dione (PubChem CID 18439140) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 1-(2,3,4-trimethylcyclopentyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(2,3,4-trimethylcyclopentyl)pyrrole-2,5-dione
PubChem CID18439140
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name1-(2,3,4-trimethylcyclopentyl)pyrrole-2,5-dione
SMILESCC1CC(N2C(=O)C=CC2=O)C(C)C1C
InChIInChI=1S/C12H17NO2/c1-7-6-10(9(3)8(7)2)13-11(14)4-5-12(13)15/h4-5,7-10H,6H2,1-3H3
InChIKeyFCBCZTCJMJVPRY-UHFFFAOYSA-N
XLogP1.59
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.59
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-(2,3,4-trimethylcyclopentyl)pyrrole-2,5-dione?
The IUPAC name of 1-(2,3,4-trimethylcyclopentyl)pyrrole-2,5-dione (CID 18439140) is 1-(2,3,4-trimethylcyclopentyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(2,3,4-trimethylcyclopentyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(2,3,4-trimethylcyclopentyl)pyrrole-2,5-dione is CC1CC(N2C(=O)C=CC2=O)C(C)C1C.
What is the InChIKey of 1-(2,3,4-trimethylcyclopentyl)pyrrole-2,5-dione?
The InChIKey is FCBCZTCJMJVPRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-7-6-10(9(3)8(7)2)13-11(14)4-5-12(13)15/h4-5,7-10H,6H2,1-3H3.
What are the key properties of 1-(2,3,4-trimethylcyclopentyl)pyrrole-2,5-dione?
1-(2,3,4-trimethylcyclopentyl)pyrrole-2,5-dione has a molecular weight of 207.27 g/mol, XLogP of 1.59, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,4-trimethylcyclopentyl)pyrrole-2,5-dione is sourced from PubChem (CID 18439140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).