1-(1-hydroxy-2-methylbutan-2-yl)-3,4-dimethylpyrrole-2,5-dione

C11H17NO3 — CID 64556042

IUPAC1-(1-hydroxy-2-methylbutan-2-yl)-3,4-dimethylpyrrole-2,5-dione
SMILESCCC(C)(CO)N1C(=O)C(C)=C(C)C1=O
InChIInChI=1S/C11H17NO3/c1-5-11(4,6-13)12-9(14)7(2)8(3)10(12)15/h13H,5-6H2,1-4H3
InChIKeyJUDXFYWGOHEUIK-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.85
Rot. Bonds3

About 1-(1-hydroxy-2-methylbutan-2-yl)-3,4-dimethylpyrrole-2,5-dione

1-(1-hydroxy-2-methylbutan-2-yl)-3,4-dimethylpyrrole-2,5-dione (PubChem CID 64556042) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 1-(1-hydroxy-2-methylbutan-2-yl)-3,4-dimethylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-(1-hydroxy-2-methylbutan-2-yl)-3,4-dimethylpyrrole-2,5-dione
PubChem CID64556042
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name1-(1-hydroxy-2-methylbutan-2-yl)-3,4-dimethylpyrrole-2,5-dione
SMILESCCC(C)(CO)N1C(=O)C(C)=C(C)C1=O
InChIInChI=1S/C11H17NO3/c1-5-11(4,6-13)12-9(14)7(2)8(3)10(12)15/h13H,5-6H2,1-4H3
InChIKeyJUDXFYWGOHEUIK-UHFFFAOYSA-N
XLogP0.85
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(1-hydroxy-2-methylbutan-2-yl)-3,4-dimethylpyrrole-2,5-dione?
The IUPAC name of 1-(1-hydroxy-2-methylbutan-2-yl)-3,4-dimethylpyrrole-2,5-dione (CID 64556042) is 1-(1-hydroxy-2-methylbutan-2-yl)-3,4-dimethylpyrrole-2,5-dione.
What is the SMILES notation for 1-(1-hydroxy-2-methylbutan-2-yl)-3,4-dimethylpyrrole-2,5-dione?
The canonical SMILES for 1-(1-hydroxy-2-methylbutan-2-yl)-3,4-dimethylpyrrole-2,5-dione is CCC(C)(CO)N1C(=O)C(C)=C(C)C1=O.
What is the InChIKey of 1-(1-hydroxy-2-methylbutan-2-yl)-3,4-dimethylpyrrole-2,5-dione?
The InChIKey is JUDXFYWGOHEUIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-5-11(4,6-13)12-9(14)7(2)8(3)10(12)15/h13H,5-6H2,1-4H3.
What are the key properties of 1-(1-hydroxy-2-methylbutan-2-yl)-3,4-dimethylpyrrole-2,5-dione?
1-(1-hydroxy-2-methylbutan-2-yl)-3,4-dimethylpyrrole-2,5-dione has a molecular weight of 211.26 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxy-2-methylbutan-2-yl)-3,4-dimethylpyrrole-2,5-dione is sourced from PubChem (CID 64556042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).