3-(1-hydroxyethyl)-1-methylpyrrole-2,5-dione

C7H9NO3 — CID 121265213

IUPAC3-(1-hydroxyethyl)-1-methylpyrrole-2,5-dione
SMILESCC(O)C1=CC(=O)N(C)C1=O
InChIInChI=1S/C7H9NO3/c1-4(9)5-3-6(10)8(2)7(5)11/h3-4,9H,1-2H3
InChIKeyACBYLSNVRYOWRW-UHFFFAOYSA-N
MW155.15 g/mol
LogP-0.71
Rot. Bonds1

About 3-(1-hydroxyethyl)-1-methylpyrrole-2,5-dione

3-(1-hydroxyethyl)-1-methylpyrrole-2,5-dione (PubChem CID 121265213) has the molecular formula C7H9NO3 and a molecular weight of 155.15 g/mol. Its IUPAC name is 3-(1-hydroxyethyl)-1-methylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-(1-hydroxyethyl)-1-methylpyrrole-2,5-dione
PubChem CID121265213
Molecular FormulaC7H9NO3
Molecular Weight155.15 g/mol
Exact Mass155.06
IUPAC Name3-(1-hydroxyethyl)-1-methylpyrrole-2,5-dione
SMILESCC(O)C1=CC(=O)N(C)C1=O
InChIInChI=1S/C7H9NO3/c1-4(9)5-3-6(10)8(2)7(5)11/h3-4,9H,1-2H3
InChIKeyACBYLSNVRYOWRW-UHFFFAOYSA-N
XLogP-0.71
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 ≤ 5-0.71
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 3-(1-hydroxyethyl)-1-methylpyrrole-2,5-dione?
The IUPAC name of 3-(1-hydroxyethyl)-1-methylpyrrole-2,5-dione (CID 121265213) is 3-(1-hydroxyethyl)-1-methylpyrrole-2,5-dione.
What is the SMILES notation for 3-(1-hydroxyethyl)-1-methylpyrrole-2,5-dione?
The canonical SMILES for 3-(1-hydroxyethyl)-1-methylpyrrole-2,5-dione is CC(O)C1=CC(=O)N(C)C1=O.
What is the InChIKey of 3-(1-hydroxyethyl)-1-methylpyrrole-2,5-dione?
The InChIKey is ACBYLSNVRYOWRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO3/c1-4(9)5-3-6(10)8(2)7(5)11/h3-4,9H,1-2H3.
What are the key properties of 3-(1-hydroxyethyl)-1-methylpyrrole-2,5-dione?
3-(1-hydroxyethyl)-1-methylpyrrole-2,5-dione has a molecular weight of 155.15 g/mol, XLogP of -0.71, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-hydroxyethyl)-1-methylpyrrole-2,5-dione is sourced from PubChem (CID 121265213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).