1-[3-(2,2-dimethylpropyl)cyclopentyl]pyrrole-2,5-dione

C14H21NO2 — CID 170118343

IUPAC1-[3-(2,2-dimethylpropyl)cyclopentyl]pyrrole-2,5-dione
SMILESCC(C)(C)CC1CCC(N2C(=O)C=CC2=O)C1
InChIInChI=1S/C14H21NO2/c1-14(2,3)9-10-4-5-11(8-10)15-12(16)6-7-13(15)17/h6-7,10-11H,4-5,8-9H2,1-3H3
InChIKeyMABWJWPDILRIQT-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.52
Rot. Bonds2

About 1-[3-(2,2-dimethylpropyl)cyclopentyl]pyrrole-2,5-dione

1-[3-(2,2-dimethylpropyl)cyclopentyl]pyrrole-2,5-dione (PubChem CID 170118343) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-[3-(2,2-dimethylpropyl)cyclopentyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[3-(2,2-dimethylpropyl)cyclopentyl]pyrrole-2,5-dione
PubChem CID170118343
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name1-[3-(2,2-dimethylpropyl)cyclopentyl]pyrrole-2,5-dione
SMILESCC(C)(C)CC1CCC(N2C(=O)C=CC2=O)C1
InChIInChI=1S/C14H21NO2/c1-14(2,3)9-10-4-5-11(8-10)15-12(16)6-7-13(15)17/h6-7,10-11H,4-5,8-9H2,1-3H3
InChIKeyMABWJWPDILRIQT-UHFFFAOYSA-N
XLogP2.52
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.52
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-[3-(2,2-dimethylpropyl)cyclopentyl]pyrrole-2,5-dione?
The IUPAC name of 1-[3-(2,2-dimethylpropyl)cyclopentyl]pyrrole-2,5-dione (CID 170118343) is 1-[3-(2,2-dimethylpropyl)cyclopentyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[3-(2,2-dimethylpropyl)cyclopentyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[3-(2,2-dimethylpropyl)cyclopentyl]pyrrole-2,5-dione is CC(C)(C)CC1CCC(N2C(=O)C=CC2=O)C1.
What is the InChIKey of 1-[3-(2,2-dimethylpropyl)cyclopentyl]pyrrole-2,5-dione?
The InChIKey is MABWJWPDILRIQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-14(2,3)9-10-4-5-11(8-10)15-12(16)6-7-13(15)17/h6-7,10-11H,4-5,8-9H2,1-3H3.
What are the key properties of 1-[3-(2,2-dimethylpropyl)cyclopentyl]pyrrole-2,5-dione?
1-[3-(2,2-dimethylpropyl)cyclopentyl]pyrrole-2,5-dione has a molecular weight of 235.33 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,2-dimethylpropyl)cyclopentyl]pyrrole-2,5-dione is sourced from PubChem (CID 170118343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).