1-butyl-3,4-dimethylpyrrole-2,5-dione

C10H15NO2 — CID 23335118

IUPAC1-butyl-3,4-dimethylpyrrole-2,5-dione
SMILESCCCCN1C(=O)C(C)=C(C)C1=O
InChIInChI=1S/C10H15NO2/c1-4-5-6-11-9(12)7(2)8(3)10(11)13/h4-6H2,1-3H3
InChIKeyQWSRARTUANJAIV-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.49
Rot. Bonds3

About 1-butyl-3,4-dimethylpyrrole-2,5-dione

1-butyl-3,4-dimethylpyrrole-2,5-dione (PubChem CID 23335118) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 1-butyl-3,4-dimethylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-butyl-3,4-dimethylpyrrole-2,5-dione
PubChem CID23335118
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name1-butyl-3,4-dimethylpyrrole-2,5-dione
SMILESCCCCN1C(=O)C(C)=C(C)C1=O
InChIInChI=1S/C10H15NO2/c1-4-5-6-11-9(12)7(2)8(3)10(11)13/h4-6H2,1-3H3
InChIKeyQWSRARTUANJAIV-UHFFFAOYSA-N
XLogP1.49
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.49
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-butyl-3,4-dimethylpyrrole-2,5-dione?
The IUPAC name of 1-butyl-3,4-dimethylpyrrole-2,5-dione (CID 23335118) is 1-butyl-3,4-dimethylpyrrole-2,5-dione.
What is the SMILES notation for 1-butyl-3,4-dimethylpyrrole-2,5-dione?
The canonical SMILES for 1-butyl-3,4-dimethylpyrrole-2,5-dione is CCCCN1C(=O)C(C)=C(C)C1=O.
What is the InChIKey of 1-butyl-3,4-dimethylpyrrole-2,5-dione?
The InChIKey is QWSRARTUANJAIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-4-5-6-11-9(12)7(2)8(3)10(11)13/h4-6H2,1-3H3.
What are the key properties of 1-butyl-3,4-dimethylpyrrole-2,5-dione?
1-butyl-3,4-dimethylpyrrole-2,5-dione has a molecular weight of 181.23 g/mol, XLogP of 1.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3,4-dimethylpyrrole-2,5-dione is sourced from PubChem (CID 23335118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).