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

C13H17NO3 — CID 23033340

IUPAC1-(2-butanoylcyclopentyl)pyrrole-2,5-dione
SMILESCCCC(=O)C1CCCC1N1C(=O)C=CC1=O
InChIInChI=1S/C13H17NO3/c1-2-4-11(15)9-5-3-6-10(9)14-12(16)7-8-13(14)17/h7-10H,2-6H2,1H3
InChIKeyQDOAXOJDEJWUFF-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.45
Rot. Bonds4

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

1-(2-butanoylcyclopentyl)pyrrole-2,5-dione (PubChem CID 23033340) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 1-(2-butanoylcyclopentyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(2-butanoylcyclopentyl)pyrrole-2,5-dione
PubChem CID23033340
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name1-(2-butanoylcyclopentyl)pyrrole-2,5-dione
SMILESCCCC(=O)C1CCCC1N1C(=O)C=CC1=O
InChIInChI=1S/C13H17NO3/c1-2-4-11(15)9-5-3-6-10(9)14-12(16)7-8-13(14)17/h7-10H,2-6H2,1H3
InChIKeyQDOAXOJDEJWUFF-UHFFFAOYSA-N
XLogP1.45
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-Acetylcyclopentyl)pyrrole-2,5-dione
CID 18439055
1-(2-Ethylcyclopentyl)pyrrole-2,5-dione
CID 18439063
1-[2-(2,2-Dimethylpropanoyl)cyclopentyl]pyrrole-2,5-dione
CID 18439112
1-(2-Propanoylcyclopentyl)pyrrole-2,5-dione
CID 18439114
1-(2,3-Diethylcyclopentyl)pyrrole-2,5-dione
CID 18439120
1-(2,3-Dipropylcyclopentyl)pyrrole-2,5-dione
CID 18439130
1-(2-Propylcyclopentyl)pyrrole-2,5-dione
CID 23033270
1-(2-Butylcyclopentyl)pyrrole-2,5-dione
CID 23033378
1-[(1S,2S)-2-ethylcyclopentyl]pyrrole-2,5-dione
CID 66880144
1-[(1S,2S)-2-pentylcyclopentyl]pyrrole-2,5-dione
CID 66880157
1-[(1S,2R)-2,3-diethylcyclopentyl]pyrrole-2,5-dione
CID 66880504
1-[(1S,2S)-2-acetylcyclopentyl]pyrrole-2,5-dione
CID 66880832

Frequently Asked Questions

What is the IUPAC name of 1-(2-butanoylcyclopentyl)pyrrole-2,5-dione?
The IUPAC name of 1-(2-butanoylcyclopentyl)pyrrole-2,5-dione (CID 23033340) is 1-(2-butanoylcyclopentyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(2-butanoylcyclopentyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(2-butanoylcyclopentyl)pyrrole-2,5-dione is CCCC(=O)C1CCCC1N1C(=O)C=CC1=O.
What is the InChIKey of 1-(2-butanoylcyclopentyl)pyrrole-2,5-dione?
The InChIKey is QDOAXOJDEJWUFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-2-4-11(15)9-5-3-6-10(9)14-12(16)7-8-13(14)17/h7-10H,2-6H2,1H3.
What are the key properties of 1-(2-butanoylcyclopentyl)pyrrole-2,5-dione?
1-(2-butanoylcyclopentyl)pyrrole-2,5-dione has a molecular weight of 235.28 g/mol, XLogP of 1.45, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-butanoylcyclopentyl)pyrrole-2,5-dione is sourced from PubChem (CID 23033340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).