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

C10H15NO4 — CID 106187036

IUPAC1-(1-hydroxy-3-methoxypropan-2-yl)-3,4-dimethylpyrrole-2,5-dione
SMILESCOCC(CO)N1C(=O)C(C)=C(C)C1=O
InChIInChI=1S/C10H15NO4/c1-6-7(2)10(14)11(9(6)13)8(4-12)5-15-3/h8,12H,4-5H2,1-3H3
InChIKeyAWJRFMKFVAIFHN-UHFFFAOYSA-N
MW213.23 g/mol
LogP-0.30
Rot. Bonds4

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

1-(1-hydroxy-3-methoxypropan-2-yl)-3,4-dimethylpyrrole-2,5-dione (PubChem CID 106187036) has the molecular formula C10H15NO4 and a molecular weight of 213.23 g/mol. Its IUPAC name is 1-(1-hydroxy-3-methoxypropan-2-yl)-3,4-dimethylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-(1-hydroxy-3-methoxypropan-2-yl)-3,4-dimethylpyrrole-2,5-dione
PubChem CID106187036
Molecular FormulaC10H15NO4
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name1-(1-hydroxy-3-methoxypropan-2-yl)-3,4-dimethylpyrrole-2,5-dione
SMILESCOCC(CO)N1C(=O)C(C)=C(C)C1=O
InChIInChI=1S/C10H15NO4/c1-6-7(2)10(14)11(9(6)13)8(4-12)5-15-3/h8,12H,4-5H2,1-3H3
InChIKeyAWJRFMKFVAIFHN-UHFFFAOYSA-N
XLogP-0.30
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-3-methoxypropan-2-yl)-3,4-dimethylpyrrole-2,5-dione?
The IUPAC name of 1-(1-hydroxy-3-methoxypropan-2-yl)-3,4-dimethylpyrrole-2,5-dione (CID 106187036) is 1-(1-hydroxy-3-methoxypropan-2-yl)-3,4-dimethylpyrrole-2,5-dione.
What is the SMILES notation for 1-(1-hydroxy-3-methoxypropan-2-yl)-3,4-dimethylpyrrole-2,5-dione?
The canonical SMILES for 1-(1-hydroxy-3-methoxypropan-2-yl)-3,4-dimethylpyrrole-2,5-dione is COCC(CO)N1C(=O)C(C)=C(C)C1=O.
What is the InChIKey of 1-(1-hydroxy-3-methoxypropan-2-yl)-3,4-dimethylpyrrole-2,5-dione?
The InChIKey is AWJRFMKFVAIFHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4/c1-6-7(2)10(14)11(9(6)13)8(4-12)5-15-3/h8,12H,4-5H2,1-3H3.
What are the key properties of 1-(1-hydroxy-3-methoxypropan-2-yl)-3,4-dimethylpyrrole-2,5-dione?
1-(1-hydroxy-3-methoxypropan-2-yl)-3,4-dimethylpyrrole-2,5-dione has a molecular weight of 213.23 g/mol, XLogP of -0.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxy-3-methoxypropan-2-yl)-3,4-dimethylpyrrole-2,5-dione is sourced from PubChem (CID 106187036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).