6-(2-hydroxyethyl)-1,4-dihydroquinoxaline-2,3-dione

C10H10N2O3 — CID 83674045

IUPAC6-(2-hydroxyethyl)-1,4-dihydroquinoxaline-2,3-dione
SMILESO=c1[nH]c2ccc(CCO)cc2[nH]c1=O
InChIInChI=1S/C10H10N2O3/c13-4-3-6-1-2-7-8(5-6)12-10(15)9(14)11-7/h1-2,5,13H,3-4H2,(H,11,14)(H,12,15)
InChIKeyRJNQRHGQBQBDQO-UHFFFAOYSA-N
MW206.20 g/mol
LogP-0.25
Rot. Bonds2

About 6-(2-hydroxyethyl)-1,4-dihydroquinoxaline-2,3-dione

6-(2-hydroxyethyl)-1,4-dihydroquinoxaline-2,3-dione (PubChem CID 83674045) has the molecular formula C10H10N2O3 and a molecular weight of 206.20 g/mol. Its IUPAC name is 6-(2-hydroxyethyl)-1,4-dihydroquinoxaline-2,3-dione.

Molecular Properties

Compound Name6-(2-hydroxyethyl)-1,4-dihydroquinoxaline-2,3-dione
PubChem CID83674045
Molecular FormulaC10H10N2O3
Molecular Weight206.20 g/mol
Exact Mass206.07
IUPAC Name6-(2-hydroxyethyl)-1,4-dihydroquinoxaline-2,3-dione
SMILESO=c1[nH]c2ccc(CCO)cc2[nH]c1=O
InChIInChI=1S/C10H10N2O3/c13-4-3-6-1-2-7-8(5-6)12-10(15)9(14)11-7/h1-2,5,13H,3-4H2,(H,11,14)(H,12,15)
InChIKeyRJNQRHGQBQBDQO-UHFFFAOYSA-N
XLogP-0.25
TPSA85.95 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 5-0.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(2-hydroxyethyl)-1,4-dihydroquinoxaline-2,3-dione?
The IUPAC name of 6-(2-hydroxyethyl)-1,4-dihydroquinoxaline-2,3-dione (CID 83674045) is 6-(2-hydroxyethyl)-1,4-dihydroquinoxaline-2,3-dione.
What is the SMILES notation for 6-(2-hydroxyethyl)-1,4-dihydroquinoxaline-2,3-dione?
The canonical SMILES for 6-(2-hydroxyethyl)-1,4-dihydroquinoxaline-2,3-dione is O=c1[nH]c2ccc(CCO)cc2[nH]c1=O.
What is the InChIKey of 6-(2-hydroxyethyl)-1,4-dihydroquinoxaline-2,3-dione?
The InChIKey is RJNQRHGQBQBDQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3/c13-4-3-6-1-2-7-8(5-6)12-10(15)9(14)11-7/h1-2,5,13H,3-4H2,(H,11,14)(H,12,15).
What are the key properties of 6-(2-hydroxyethyl)-1,4-dihydroquinoxaline-2,3-dione?
6-(2-hydroxyethyl)-1,4-dihydroquinoxaline-2,3-dione has a molecular weight of 206.20 g/mol, XLogP of -0.25, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-hydroxyethyl)-1,4-dihydroquinoxaline-2,3-dione is sourced from PubChem (CID 83674045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).