1-methyl-3-(3-methylbutyl)pyrrole-2,5-dione

C10H15NO2 — CID 22388774

IUPAC1-methyl-3-(3-methylbutyl)pyrrole-2,5-dione
SMILESCC(C)CCC1=CC(=O)N(C)C1=O
InChIInChI=1S/C10H15NO2/c1-7(2)4-5-8-6-9(12)11(3)10(8)13/h6-7H,4-5H2,1-3H3
InChIKeyVGDRJOYRXIROMB-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.35
Rot. Bonds3

About 1-methyl-3-(3-methylbutyl)pyrrole-2,5-dione

1-methyl-3-(3-methylbutyl)pyrrole-2,5-dione (PubChem CID 22388774) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 1-methyl-3-(3-methylbutyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-methyl-3-(3-methylbutyl)pyrrole-2,5-dione
PubChem CID22388774
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name1-methyl-3-(3-methylbutyl)pyrrole-2,5-dione
SMILESCC(C)CCC1=CC(=O)N(C)C1=O
InChIInChI=1S/C10H15NO2/c1-7(2)4-5-8-6-9(12)11(3)10(8)13/h6-7H,4-5H2,1-3H3
InChIKeyVGDRJOYRXIROMB-UHFFFAOYSA-N
XLogP1.35
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 ≤ 51.35
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-methyl-3-(3-methylbutyl)pyrrole-2,5-dione?
The IUPAC name of 1-methyl-3-(3-methylbutyl)pyrrole-2,5-dione (CID 22388774) is 1-methyl-3-(3-methylbutyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-methyl-3-(3-methylbutyl)pyrrole-2,5-dione?
The canonical SMILES for 1-methyl-3-(3-methylbutyl)pyrrole-2,5-dione is CC(C)CCC1=CC(=O)N(C)C1=O.
What is the InChIKey of 1-methyl-3-(3-methylbutyl)pyrrole-2,5-dione?
The InChIKey is VGDRJOYRXIROMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-7(2)4-5-8-6-9(12)11(3)10(8)13/h6-7H,4-5H2,1-3H3.
What are the key properties of 1-methyl-3-(3-methylbutyl)pyrrole-2,5-dione?
1-methyl-3-(3-methylbutyl)pyrrole-2,5-dione has a molecular weight of 181.23 g/mol, XLogP of 1.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(3-methylbutyl)pyrrole-2,5-dione is sourced from PubChem (CID 22388774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).