6,7-bis(hydroxymethyl)-1,4-dihydroquinoxaline-2,3-dione

C10H10N2O4 — CID 10443519

IUPAC6,7-bis(hydroxymethyl)-1,4-dihydroquinoxaline-2,3-dione
SMILESO=c1[nH]c2cc(CO)c(CO)cc2[nH]c1=O
InChIInChI=1S/C10H10N2O4/c13-3-5-1-7-8(2-6(5)4-14)12-10(16)9(15)11-7/h1-2,13-14H,3-4H2,(H,11,15)(H,12,16)
InChIKeyFDOKSPSZJOASNK-UHFFFAOYSA-N
MW222.20 g/mol
LogP-0.80
Rot. Bonds2

About 6,7-bis(hydroxymethyl)-1,4-dihydroquinoxaline-2,3-dione

6,7-bis(hydroxymethyl)-1,4-dihydroquinoxaline-2,3-dione (PubChem CID 10443519) has the molecular formula C10H10N2O4 and a molecular weight of 222.20 g/mol. Its IUPAC name is 6,7-bis(hydroxymethyl)-1,4-dihydroquinoxaline-2,3-dione.

Molecular Properties

Compound Name6,7-bis(hydroxymethyl)-1,4-dihydroquinoxaline-2,3-dione
PubChem CID10443519
Molecular FormulaC10H10N2O4
Molecular Weight222.20 g/mol
Exact Mass222.06
IUPAC Name6,7-bis(hydroxymethyl)-1,4-dihydroquinoxaline-2,3-dione
SMILESO=c1[nH]c2cc(CO)c(CO)cc2[nH]c1=O
InChIInChI=1S/C10H10N2O4/c13-3-5-1-7-8(2-6(5)4-14)12-10(16)9(15)11-7/h1-2,13-14H,3-4H2,(H,11,15)(H,12,16)
InChIKeyFDOKSPSZJOASNK-UHFFFAOYSA-N
XLogP-0.80
TPSA106.18 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.20
LogP ≤ 5-0.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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 6,7-bis(hydroxymethyl)-1,4-dihydroquinoxaline-2,3-dione?
The IUPAC name of 6,7-bis(hydroxymethyl)-1,4-dihydroquinoxaline-2,3-dione (CID 10443519) is 6,7-bis(hydroxymethyl)-1,4-dihydroquinoxaline-2,3-dione.
What is the SMILES notation for 6,7-bis(hydroxymethyl)-1,4-dihydroquinoxaline-2,3-dione?
The canonical SMILES for 6,7-bis(hydroxymethyl)-1,4-dihydroquinoxaline-2,3-dione is O=c1[nH]c2cc(CO)c(CO)cc2[nH]c1=O.
What is the InChIKey of 6,7-bis(hydroxymethyl)-1,4-dihydroquinoxaline-2,3-dione?
The InChIKey is FDOKSPSZJOASNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O4/c13-3-5-1-7-8(2-6(5)4-14)12-10(16)9(15)11-7/h1-2,13-14H,3-4H2,(H,11,15)(H,12,16).
What are the key properties of 6,7-bis(hydroxymethyl)-1,4-dihydroquinoxaline-2,3-dione?
6,7-bis(hydroxymethyl)-1,4-dihydroquinoxaline-2,3-dione has a molecular weight of 222.20 g/mol, XLogP of -0.80, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-bis(hydroxymethyl)-1,4-dihydroquinoxaline-2,3-dione is sourced from PubChem (CID 10443519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).