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

C14H19NO3 — CID 18439112

IUPAC1-[2-(2,2-dimethylpropanoyl)cyclopentyl]pyrrole-2,5-dione
SMILESCC(C)(C)C(=O)C1CCCC1N1C(=O)C=CC1=O
InChIInChI=1S/C14H19NO3/c1-14(2,3)13(18)9-5-4-6-10(9)15-11(16)7-8-12(15)17/h7-10H,4-6H2,1-3H3
InChIKeyLPIOMWKYMQTUGD-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.70
Rot. Bonds2

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

1-[2-(2,2-dimethylpropanoyl)cyclopentyl]pyrrole-2,5-dione (PubChem CID 18439112) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 1-[2-(2,2-dimethylpropanoyl)cyclopentyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[2-(2,2-dimethylpropanoyl)cyclopentyl]pyrrole-2,5-dione
PubChem CID18439112
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name1-[2-(2,2-dimethylpropanoyl)cyclopentyl]pyrrole-2,5-dione
SMILESCC(C)(C)C(=O)C1CCCC1N1C(=O)C=CC1=O
InChIInChI=1S/C14H19NO3/c1-14(2,3)13(18)9-5-4-6-10(9)15-11(16)7-8-12(15)17/h7-10H,4-6H2,1-3H3
InChIKeyLPIOMWKYMQTUGD-UHFFFAOYSA-N
XLogP1.70
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.70
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-Propanoylcyclopentyl)pyrrole-2,5-dione
CID 18439114
1-(2-Tert-butylcyclopentyl)pyrrole-2,5-dione
CID 18439118
1-(2-Propylcyclopentyl)pyrrole-2,5-dione
CID 23033270
1-(2-Butanoylcyclopentyl)pyrrole-2,5-dione
CID 23033340
1-(2-Butylcyclopentyl)pyrrole-2,5-dione
CID 23033378
1-(7,7-Dimethyl-6-oxooctyl)pyrrole-2,5-dione
CID 58436758
1-[[4-(2,2-Dimethylpropanoyl)cyclohexyl]methyl]pyrrole-2,5-dione
CID 66678140
1-[(1S,2S)-2-pentylcyclopentyl]pyrrole-2,5-dione
CID 66880157
1-[(1S,2S)-2-tert-butylcyclopentyl]pyrrole-2,5-dione
CID 66880343
1-[(1S,2S)-2-acetylcyclopentyl]pyrrole-2,5-dione
CID 66880832
1-[(1S,2S)-2-(2-methylpropyl)cyclopentyl]pyrrole-2,5-dione
CID 66880916

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,2-dimethylpropanoyl)cyclopentyl]pyrrole-2,5-dione?
The IUPAC name of 1-[2-(2,2-dimethylpropanoyl)cyclopentyl]pyrrole-2,5-dione (CID 18439112) is 1-[2-(2,2-dimethylpropanoyl)cyclopentyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[2-(2,2-dimethylpropanoyl)cyclopentyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[2-(2,2-dimethylpropanoyl)cyclopentyl]pyrrole-2,5-dione is CC(C)(C)C(=O)C1CCCC1N1C(=O)C=CC1=O.
What is the InChIKey of 1-[2-(2,2-dimethylpropanoyl)cyclopentyl]pyrrole-2,5-dione?
The InChIKey is LPIOMWKYMQTUGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-14(2,3)13(18)9-5-4-6-10(9)15-11(16)7-8-12(15)17/h7-10H,4-6H2,1-3H3.
What are the key properties of 1-[2-(2,2-dimethylpropanoyl)cyclopentyl]pyrrole-2,5-dione?
1-[2-(2,2-dimethylpropanoyl)cyclopentyl]pyrrole-2,5-dione has a molecular weight of 249.31 g/mol, XLogP of 1.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,2-dimethylpropanoyl)cyclopentyl]pyrrole-2,5-dione is sourced from PubChem (CID 18439112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).