2-acetyl-4H-pyrido[3,2-b][1,4]oxazin-3-one

C9H8N2O3 — CID 116990407

IUPAC2-acetyl-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESCC(=O)C1Oc2cccnc2NC1=O
InChIInChI=1S/C9H8N2O3/c1-5(12)7-9(13)11-8-6(14-7)3-2-4-10-8/h2-4,7H,1H3,(H,10,11,13)
InChIKeyNRTWEFYDMIEXBD-UHFFFAOYSA-N
MW192.17 g/mol
LogP0.37
Rot. Bonds1

About 2-acetyl-4H-pyrido[3,2-b][1,4]oxazin-3-one

2-acetyl-4H-pyrido[3,2-b][1,4]oxazin-3-one (PubChem CID 116990407) has the molecular formula C9H8N2O3 and a molecular weight of 192.17 g/mol. Its IUPAC name is 2-acetyl-4H-pyrido[3,2-b][1,4]oxazin-3-one.

Molecular Properties

Compound Name2-acetyl-4H-pyrido[3,2-b][1,4]oxazin-3-one
PubChem CID116990407
Molecular FormulaC9H8N2O3
Molecular Weight192.17 g/mol
Exact Mass192.05
IUPAC Name2-acetyl-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESCC(=O)C1Oc2cccnc2NC1=O
InChIInChI=1S/C9H8N2O3/c1-5(12)7-9(13)11-8-6(14-7)3-2-4-10-8/h2-4,7H,1H3,(H,10,11,13)
InChIKeyNRTWEFYDMIEXBD-UHFFFAOYSA-N
XLogP0.37
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.17
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-acetyl-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The IUPAC name of 2-acetyl-4H-pyrido[3,2-b][1,4]oxazin-3-one (CID 116990407) is 2-acetyl-4H-pyrido[3,2-b][1,4]oxazin-3-one.
What is the SMILES notation for 2-acetyl-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The canonical SMILES for 2-acetyl-4H-pyrido[3,2-b][1,4]oxazin-3-one is CC(=O)C1Oc2cccnc2NC1=O.
What is the InChIKey of 2-acetyl-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The InChIKey is NRTWEFYDMIEXBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O3/c1-5(12)7-9(13)11-8-6(14-7)3-2-4-10-8/h2-4,7H,1H3,(H,10,11,13).
What are the key properties of 2-acetyl-4H-pyrido[3,2-b][1,4]oxazin-3-one?
2-acetyl-4H-pyrido[3,2-b][1,4]oxazin-3-one has a molecular weight of 192.17 g/mol, XLogP of 0.37, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyl-4H-pyrido[3,2-b][1,4]oxazin-3-one is sourced from PubChem (CID 116990407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).