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

C12H17NO2 — CID 23033270

IUPAC1-(2-propylcyclopentyl)pyrrole-2,5-dione
SMILESCCCC1CCCC1N1C(=O)C=CC1=O
InChIInChI=1S/C12H17NO2/c1-2-4-9-5-3-6-10(9)13-11(14)7-8-12(13)15/h7-10H,2-6H2,1H3
InChIKeyKPMNADFYNHIUGH-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.88
Rot. Bonds3

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

1-(2-propylcyclopentyl)pyrrole-2,5-dione (PubChem CID 23033270) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 1-(2-propylcyclopentyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(2-propylcyclopentyl)pyrrole-2,5-dione
PubChem CID23033270
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name1-(2-propylcyclopentyl)pyrrole-2,5-dione
SMILESCCCC1CCCC1N1C(=O)C=CC1=O
InChIInChI=1S/C12H17NO2/c1-2-4-9-5-3-6-10(9)13-11(14)7-8-12(13)15/h7-10H,2-6H2,1H3
InChIKeyKPMNADFYNHIUGH-UHFFFAOYSA-N
XLogP1.88
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.88
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

Maleimidoethyl cyclohexane
CID 60920082
N-(2-decyltetradecyl)-maleimide
CID 129839852
1-(2-Acetylcyclopentyl)pyrrole-2,5-dione
CID 18439055
1-(2-Ethylcyclopentyl)pyrrole-2,5-dione
CID 18439063
1-(2-Methylcyclopentyl)pyrrole-2,5-dione
CID 18439076
1-[2-(2,2-Dimethylpropanoyl)cyclopentyl]pyrrole-2,5-dione
CID 18439112
1-(2-Propanoylcyclopentyl)pyrrole-2,5-dione
CID 18439114
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

Frequently Asked Questions

What is the IUPAC name of 1-(2-propylcyclopentyl)pyrrole-2,5-dione?
The IUPAC name of 1-(2-propylcyclopentyl)pyrrole-2,5-dione (CID 23033270) is 1-(2-propylcyclopentyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(2-propylcyclopentyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(2-propylcyclopentyl)pyrrole-2,5-dione is CCCC1CCCC1N1C(=O)C=CC1=O.
What is the InChIKey of 1-(2-propylcyclopentyl)pyrrole-2,5-dione?
The InChIKey is KPMNADFYNHIUGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-2-4-9-5-3-6-10(9)13-11(14)7-8-12(13)15/h7-10H,2-6H2,1H3.
What are the key properties of 1-(2-propylcyclopentyl)pyrrole-2,5-dione?
1-(2-propylcyclopentyl)pyrrole-2,5-dione has a molecular weight of 207.27 g/mol, XLogP of 1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propylcyclopentyl)pyrrole-2,5-dione is sourced from PubChem (CID 23033270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).