8-amino-3-(hydroxymethyl)-3,4-dihydro-1H-quinoxalin-2-one

C9H11N3O2 — CID 68706261

IUPAC8-amino-3-(hydroxymethyl)-3,4-dihydro-1H-quinoxalin-2-one
SMILESNc1cccc2c1NC(=O)C(CO)N2
InChIInChI=1S/C9H11N3O2/c10-5-2-1-3-6-8(5)12-9(14)7(4-13)11-6/h1-3,7,11,13H,4,10H2,(H,12,14)
InChIKeyKZAIHYBLJFKOLO-UHFFFAOYSA-N
MW193.21 g/mol
LogP-0.01
Rot. Bonds1

About 8-amino-3-(hydroxymethyl)-3,4-dihydro-1H-quinoxalin-2-one

8-amino-3-(hydroxymethyl)-3,4-dihydro-1H-quinoxalin-2-one (PubChem CID 68706261) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is 8-amino-3-(hydroxymethyl)-3,4-dihydro-1H-quinoxalin-2-one.

Molecular Properties

Compound Name8-amino-3-(hydroxymethyl)-3,4-dihydro-1H-quinoxalin-2-one
PubChem CID68706261
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC Name8-amino-3-(hydroxymethyl)-3,4-dihydro-1H-quinoxalin-2-one
SMILESNc1cccc2c1NC(=O)C(CO)N2
InChIInChI=1S/C9H11N3O2/c10-5-2-1-3-6-8(5)12-9(14)7(4-13)11-6/h1-3,7,11,13H,4,10H2,(H,12,14)
InChIKeyKZAIHYBLJFKOLO-UHFFFAOYSA-N
XLogP-0.01
TPSA87.38 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 5-0.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-amino-3-(hydroxymethyl)-3,4-dihydro-1H-quinoxalin-2-one?
The IUPAC name of 8-amino-3-(hydroxymethyl)-3,4-dihydro-1H-quinoxalin-2-one (CID 68706261) is 8-amino-3-(hydroxymethyl)-3,4-dihydro-1H-quinoxalin-2-one.
What is the SMILES notation for 8-amino-3-(hydroxymethyl)-3,4-dihydro-1H-quinoxalin-2-one?
The canonical SMILES for 8-amino-3-(hydroxymethyl)-3,4-dihydro-1H-quinoxalin-2-one is Nc1cccc2c1NC(=O)C(CO)N2.
What is the InChIKey of 8-amino-3-(hydroxymethyl)-3,4-dihydro-1H-quinoxalin-2-one?
The InChIKey is KZAIHYBLJFKOLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2/c10-5-2-1-3-6-8(5)12-9(14)7(4-13)11-6/h1-3,7,11,13H,4,10H2,(H,12,14).
What are the key properties of 8-amino-3-(hydroxymethyl)-3,4-dihydro-1H-quinoxalin-2-one?
8-amino-3-(hydroxymethyl)-3,4-dihydro-1H-quinoxalin-2-one has a molecular weight of 193.21 g/mol, XLogP of -0.01, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-3-(hydroxymethyl)-3,4-dihydro-1H-quinoxalin-2-one is sourced from PubChem (CID 68706261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).