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

C9H13NO3 — CID 63267026

IUPAC1-(1-hydroxypropan-2-yl)-3,4-dimethylpyrrole-2,5-dione
SMILESCC1=C(C)C(=O)N(C(C)CO)C1=O
InChIInChI=1S/C9H13NO3/c1-5(4-11)10-8(12)6(2)7(3)9(10)13/h5,11H,4H2,1-3H3
InChIKeyUWWGTBUGUJCHEJ-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.07
Rot. Bonds2

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

1-(1-hydroxypropan-2-yl)-3,4-dimethylpyrrole-2,5-dione (PubChem CID 63267026) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is 1-(1-hydroxypropan-2-yl)-3,4-dimethylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-(1-hydroxypropan-2-yl)-3,4-dimethylpyrrole-2,5-dione
PubChem CID63267026
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Name1-(1-hydroxypropan-2-yl)-3,4-dimethylpyrrole-2,5-dione
SMILESCC1=C(C)C(=O)N(C(C)CO)C1=O
InChIInChI=1S/C9H13NO3/c1-5(4-11)10-8(12)6(2)7(3)9(10)13/h5,11H,4H2,1-3H3
InChIKeyUWWGTBUGUJCHEJ-UHFFFAOYSA-N
XLogP0.07
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.07
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-hydroxypropan-2-yl)-3,4-dimethylpyrrole-2,5-dione?
The IUPAC name of 1-(1-hydroxypropan-2-yl)-3,4-dimethylpyrrole-2,5-dione (CID 63267026) is 1-(1-hydroxypropan-2-yl)-3,4-dimethylpyrrole-2,5-dione.
What is the SMILES notation for 1-(1-hydroxypropan-2-yl)-3,4-dimethylpyrrole-2,5-dione?
The canonical SMILES for 1-(1-hydroxypropan-2-yl)-3,4-dimethylpyrrole-2,5-dione is CC1=C(C)C(=O)N(C(C)CO)C1=O.
What is the InChIKey of 1-(1-hydroxypropan-2-yl)-3,4-dimethylpyrrole-2,5-dione?
The InChIKey is UWWGTBUGUJCHEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3/c1-5(4-11)10-8(12)6(2)7(3)9(10)13/h5,11H,4H2,1-3H3.
What are the key properties of 1-(1-hydroxypropan-2-yl)-3,4-dimethylpyrrole-2,5-dione?
1-(1-hydroxypropan-2-yl)-3,4-dimethylpyrrole-2,5-dione has a molecular weight of 183.21 g/mol, XLogP of 0.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxypropan-2-yl)-3,4-dimethylpyrrole-2,5-dione is sourced from PubChem (CID 63267026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).