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

C9H8N2O3 — CID 60757880

IUPAC6-(hydroxymethyl)-1,4-dihydroquinoxaline-2,3-dione
SMILESO=c1[nH]c2ccc(CO)cc2[nH]c1=O
InChIInChI=1S/C9H8N2O3/c12-4-5-1-2-6-7(3-5)11-9(14)8(13)10-6/h1-3,12H,4H2,(H,10,13)(H,11,14)
InChIKeyKUQIZYBVGIYJJK-UHFFFAOYSA-N
MW192.17 g/mol
LogP-0.29
Rot. Bonds1

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

6-(hydroxymethyl)-1,4-dihydroquinoxaline-2,3-dione (PubChem CID 60757880) has the molecular formula C9H8N2O3 and a molecular weight of 192.17 g/mol. Its IUPAC name is 6-(hydroxymethyl)-1,4-dihydroquinoxaline-2,3-dione.

Molecular Properties

Compound Name6-(hydroxymethyl)-1,4-dihydroquinoxaline-2,3-dione
PubChem CID60757880
Molecular FormulaC9H8N2O3
Molecular Weight192.17 g/mol
Exact Mass192.05
IUPAC Name6-(hydroxymethyl)-1,4-dihydroquinoxaline-2,3-dione
SMILESO=c1[nH]c2ccc(CO)cc2[nH]c1=O
InChIInChI=1S/C9H8N2O3/c12-4-5-1-2-6-7(3-5)11-9(14)8(13)10-6/h1-3,12H,4H2,(H,10,13)(H,11,14)
InChIKeyKUQIZYBVGIYJJK-UHFFFAOYSA-N
XLogP-0.29
TPSA85.95 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.17
LogP ≤ 5-0.29
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-(hydroxymethyl)-1,4-dihydroquinoxaline-2,3-dione?
The IUPAC name of 6-(hydroxymethyl)-1,4-dihydroquinoxaline-2,3-dione (CID 60757880) is 6-(hydroxymethyl)-1,4-dihydroquinoxaline-2,3-dione.
What is the SMILES notation for 6-(hydroxymethyl)-1,4-dihydroquinoxaline-2,3-dione?
The canonical SMILES for 6-(hydroxymethyl)-1,4-dihydroquinoxaline-2,3-dione is O=c1[nH]c2ccc(CO)cc2[nH]c1=O.
What is the InChIKey of 6-(hydroxymethyl)-1,4-dihydroquinoxaline-2,3-dione?
The InChIKey is KUQIZYBVGIYJJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O3/c12-4-5-1-2-6-7(3-5)11-9(14)8(13)10-6/h1-3,12H,4H2,(H,10,13)(H,11,14).
What are the key properties of 6-(hydroxymethyl)-1,4-dihydroquinoxaline-2,3-dione?
6-(hydroxymethyl)-1,4-dihydroquinoxaline-2,3-dione has a molecular weight of 192.17 g/mol, XLogP of -0.29, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(hydroxymethyl)-1,4-dihydroquinoxaline-2,3-dione is sourced from PubChem (CID 60757880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).