1-(hydroxymethyl)-3,4-dimethylpyrrole-2,5-dione

C7H9NO3 — CID 11008153

IUPAC1-(hydroxymethyl)-3,4-dimethylpyrrole-2,5-dione
SMILESCC1=C(C)C(=O)N(CO)C1=O
InChIInChI=1S/C7H9NO3/c1-4-5(2)7(11)8(3-9)6(4)10/h9H,3H2,1-2H3
InChIKeyIYXUMAIJEGUIHT-UHFFFAOYSA-N
MW155.15 g/mol
LogP-0.36
Rot. Bonds1

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

1-(hydroxymethyl)-3,4-dimethylpyrrole-2,5-dione (PubChem CID 11008153) has the molecular formula C7H9NO3 and a molecular weight of 155.15 g/mol. Its IUPAC name is 1-(hydroxymethyl)-3,4-dimethylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-(hydroxymethyl)-3,4-dimethylpyrrole-2,5-dione
PubChem CID11008153
Molecular FormulaC7H9NO3
Molecular Weight155.15 g/mol
Exact Mass155.06
IUPAC Name1-(hydroxymethyl)-3,4-dimethylpyrrole-2,5-dione
SMILESCC1=C(C)C(=O)N(CO)C1=O
InChIInChI=1S/C7H9NO3/c1-4-5(2)7(11)8(3-9)6(4)10/h9H,3H2,1-2H3
InChIKeyIYXUMAIJEGUIHT-UHFFFAOYSA-N
XLogP-0.36
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.15
LogP ≤ 5-0.36
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-(hydroxymethyl)-3,4-dimethylpyrrole-2,5-dione?
The IUPAC name of 1-(hydroxymethyl)-3,4-dimethylpyrrole-2,5-dione (CID 11008153) is 1-(hydroxymethyl)-3,4-dimethylpyrrole-2,5-dione.
What is the SMILES notation for 1-(hydroxymethyl)-3,4-dimethylpyrrole-2,5-dione?
The canonical SMILES for 1-(hydroxymethyl)-3,4-dimethylpyrrole-2,5-dione is CC1=C(C)C(=O)N(CO)C1=O.
What is the InChIKey of 1-(hydroxymethyl)-3,4-dimethylpyrrole-2,5-dione?
The InChIKey is IYXUMAIJEGUIHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO3/c1-4-5(2)7(11)8(3-9)6(4)10/h9H,3H2,1-2H3.
What are the key properties of 1-(hydroxymethyl)-3,4-dimethylpyrrole-2,5-dione?
1-(hydroxymethyl)-3,4-dimethylpyrrole-2,5-dione has a molecular weight of 155.15 g/mol, XLogP of -0.36, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(hydroxymethyl)-3,4-dimethylpyrrole-2,5-dione is sourced from PubChem (CID 11008153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).