3-ethenyl-1-(1-hydroxy-2-methylpropan-2-yl)-4-methylpyrrole-2,5-dione

C11H15NO3 — CID 123713064

IUPAC3-ethenyl-1-(1-hydroxy-2-methylpropan-2-yl)-4-methylpyrrole-2,5-dione
SMILESC=CC1=C(C)C(=O)N(C(C)(C)CO)C1=O
InChIInChI=1S/C11H15NO3/c1-5-8-7(2)9(14)12(10(8)15)11(3,4)6-13/h5,13H,1,6H2,2-4H3
InChIKeyKJSYNEZFPXIHGD-UHFFFAOYSA-N
MW209.24 g/mol
LogP0.63
Rot. Bonds3

About 3-ethenyl-1-(1-hydroxy-2-methylpropan-2-yl)-4-methylpyrrole-2,5-dione

3-ethenyl-1-(1-hydroxy-2-methylpropan-2-yl)-4-methylpyrrole-2,5-dione (PubChem CID 123713064) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is 3-ethenyl-1-(1-hydroxy-2-methylpropan-2-yl)-4-methylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-ethenyl-1-(1-hydroxy-2-methylpropan-2-yl)-4-methylpyrrole-2,5-dione
PubChem CID123713064
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Name3-ethenyl-1-(1-hydroxy-2-methylpropan-2-yl)-4-methylpyrrole-2,5-dione
SMILESC=CC1=C(C)C(=O)N(C(C)(C)CO)C1=O
InChIInChI=1S/C11H15NO3/c1-5-8-7(2)9(14)12(10(8)15)11(3,4)6-13/h5,13H,1,6H2,2-4H3
InChIKeyKJSYNEZFPXIHGD-UHFFFAOYSA-N
XLogP0.63
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-(1-Hydroxy-2-methylpropan-2-yl)pyrrole-2,5-dione
CID 22114711
1-Tert-butyl-3,4-bis(ethenyl)pyrrole-2,5-dione
CID 138648778
1-Tert-butyl-3-ethenyl-4-methylpyrrole-2,5-dione
CID 155064693
1-(1-Hydroxy-2-methylpropan-2-yl)-3-methylpyrrole-2,5-dione
CID 61209446
1-(1-Hydroxy-2-methylpropan-2-yl)-3,4-dimethylpyrrole-2,5-dione
CID 63266933

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-1-(1-hydroxy-2-methylpropan-2-yl)-4-methylpyrrole-2,5-dione?
The IUPAC name of 3-ethenyl-1-(1-hydroxy-2-methylpropan-2-yl)-4-methylpyrrole-2,5-dione (CID 123713064) is 3-ethenyl-1-(1-hydroxy-2-methylpropan-2-yl)-4-methylpyrrole-2,5-dione.
What is the SMILES notation for 3-ethenyl-1-(1-hydroxy-2-methylpropan-2-yl)-4-methylpyrrole-2,5-dione?
The canonical SMILES for 3-ethenyl-1-(1-hydroxy-2-methylpropan-2-yl)-4-methylpyrrole-2,5-dione is C=CC1=C(C)C(=O)N(C(C)(C)CO)C1=O.
What is the InChIKey of 3-ethenyl-1-(1-hydroxy-2-methylpropan-2-yl)-4-methylpyrrole-2,5-dione?
The InChIKey is KJSYNEZFPXIHGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-5-8-7(2)9(14)12(10(8)15)11(3,4)6-13/h5,13H,1,6H2,2-4H3.
What are the key properties of 3-ethenyl-1-(1-hydroxy-2-methylpropan-2-yl)-4-methylpyrrole-2,5-dione?
3-ethenyl-1-(1-hydroxy-2-methylpropan-2-yl)-4-methylpyrrole-2,5-dione has a molecular weight of 209.24 g/mol, XLogP of 0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-1-(1-hydroxy-2-methylpropan-2-yl)-4-methylpyrrole-2,5-dione is sourced from PubChem (CID 123713064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).