1-(4-butylphenyl)pyrrole-2,5-dione

C14H15NO2 — CID 604282

IUPAC1-(4-butylphenyl)pyrrole-2,5-dione
SMILESCCCCc1ccc(N2C(=O)C=CC2=O)cc1
InChIInChI=1S/C14H15NO2/c1-2-3-4-11-5-7-12(8-6-11)15-13(16)9-10-14(15)17/h5-10H,2-4H2,1H3
InChIKeyYLJPMCJDTAPPRX-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.46
Rot. Bonds4

About 1-(4-butylphenyl)pyrrole-2,5-dione

1-(4-butylphenyl)pyrrole-2,5-dione (PubChem CID 604282) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 1-(4-butylphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(4-butylphenyl)pyrrole-2,5-dione
PubChem CID604282
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name1-(4-butylphenyl)pyrrole-2,5-dione
SMILESCCCCc1ccc(N2C(=O)C=CC2=O)cc1
InChIInChI=1S/C14H15NO2/c1-2-3-4-11-5-7-12(8-6-11)15-13(16)9-10-14(15)17/h5-10H,2-4H2,1H3
InChIKeyYLJPMCJDTAPPRX-UHFFFAOYSA-N
XLogP2.46
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.46
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-(4-butylphenyl)pyrrole-2,5-dione?
The IUPAC name of 1-(4-butylphenyl)pyrrole-2,5-dione (CID 604282) is 1-(4-butylphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(4-butylphenyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(4-butylphenyl)pyrrole-2,5-dione is CCCCc1ccc(N2C(=O)C=CC2=O)cc1.
What is the InChIKey of 1-(4-butylphenyl)pyrrole-2,5-dione?
The InChIKey is YLJPMCJDTAPPRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-2-3-4-11-5-7-12(8-6-11)15-13(16)9-10-14(15)17/h5-10H,2-4H2,1H3.
What are the key properties of 1-(4-butylphenyl)pyrrole-2,5-dione?
1-(4-butylphenyl)pyrrole-2,5-dione has a molecular weight of 229.28 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butylphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 604282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).