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

C7H10N2O3 — CID 4512327

IUPAC3-(2-hydroxyethylamino)-1-methylpyrrole-2,5-dione
SMILESCN1C(=O)C=C(NCCO)C1=O
InChIInChI=1S/C7H10N2O3/c1-9-6(11)4-5(7(9)12)8-2-3-10/h4,8,10H,2-3H2,1H3
InChIKeyAZMSYGPYAWIXOY-UHFFFAOYSA-N
MW170.17 g/mol
LogP-1.55
Rot. Bonds3

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

3-(2-hydroxyethylamino)-1-methylpyrrole-2,5-dione (PubChem CID 4512327) has the molecular formula C7H10N2O3 and a molecular weight of 170.17 g/mol. Its IUPAC name is 3-(2-hydroxyethylamino)-1-methylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-(2-hydroxyethylamino)-1-methylpyrrole-2,5-dione
PubChem CID4512327
Molecular FormulaC7H10N2O3
Molecular Weight170.17 g/mol
Exact Mass170.07
IUPAC Name3-(2-hydroxyethylamino)-1-methylpyrrole-2,5-dione
SMILESCN1C(=O)C=C(NCCO)C1=O
InChIInChI=1S/C7H10N2O3/c1-9-6(11)4-5(7(9)12)8-2-3-10/h4,8,10H,2-3H2,1H3
InChIKeyAZMSYGPYAWIXOY-UHFFFAOYSA-N
XLogP-1.55
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 5-1.55
H-Bond Donors ≤ 52
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 3-(2-hydroxyethylamino)-1-methylpyrrole-2,5-dione?
The IUPAC name of 3-(2-hydroxyethylamino)-1-methylpyrrole-2,5-dione (CID 4512327) is 3-(2-hydroxyethylamino)-1-methylpyrrole-2,5-dione.
What is the SMILES notation for 3-(2-hydroxyethylamino)-1-methylpyrrole-2,5-dione?
The canonical SMILES for 3-(2-hydroxyethylamino)-1-methylpyrrole-2,5-dione is CN1C(=O)C=C(NCCO)C1=O.
What is the InChIKey of 3-(2-hydroxyethylamino)-1-methylpyrrole-2,5-dione?
The InChIKey is AZMSYGPYAWIXOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3/c1-9-6(11)4-5(7(9)12)8-2-3-10/h4,8,10H,2-3H2,1H3.
What are the key properties of 3-(2-hydroxyethylamino)-1-methylpyrrole-2,5-dione?
3-(2-hydroxyethylamino)-1-methylpyrrole-2,5-dione has a molecular weight of 170.17 g/mol, XLogP of -1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethylamino)-1-methylpyrrole-2,5-dione is sourced from PubChem (CID 4512327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).