7-acetyl-1-methylpyrido[2,3-b][1,4]oxazin-2-one

C10H10N2O3 — CID 90292532

IUPAC7-acetyl-1-methylpyrido[2,3-b][1,4]oxazin-2-one
SMILESCC(=O)c1cnc2c(c1)N(C)C(=O)CO2
InChIInChI=1S/C10H10N2O3/c1-6(13)7-3-8-10(11-4-7)15-5-9(14)12(8)2/h3-4H,5H2,1-2H3
InChIKeyLOYVRLXZYSFDJP-UHFFFAOYSA-N
MW206.20 g/mol
LogP0.64
Rot. Bonds1

About 7-acetyl-1-methylpyrido[2,3-b][1,4]oxazin-2-one

7-acetyl-1-methylpyrido[2,3-b][1,4]oxazin-2-one (PubChem CID 90292532) has the molecular formula C10H10N2O3 and a molecular weight of 206.20 g/mol. Its IUPAC name is 7-acetyl-1-methylpyrido[2,3-b][1,4]oxazin-2-one.

Molecular Properties

Compound Name7-acetyl-1-methylpyrido[2,3-b][1,4]oxazin-2-one
PubChem CID90292532
Molecular FormulaC10H10N2O3
Molecular Weight206.20 g/mol
Exact Mass206.07
IUPAC Name7-acetyl-1-methylpyrido[2,3-b][1,4]oxazin-2-one
SMILESCC(=O)c1cnc2c(c1)N(C)C(=O)CO2
InChIInChI=1S/C10H10N2O3/c1-6(13)7-3-8-10(11-4-7)15-5-9(14)12(8)2/h3-4H,5H2,1-2H3
InChIKeyLOYVRLXZYSFDJP-UHFFFAOYSA-N
XLogP0.64
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-acetyl-1-methylpyrido[2,3-b][1,4]oxazin-2-one?
The IUPAC name of 7-acetyl-1-methylpyrido[2,3-b][1,4]oxazin-2-one (CID 90292532) is 7-acetyl-1-methylpyrido[2,3-b][1,4]oxazin-2-one.
What is the SMILES notation for 7-acetyl-1-methylpyrido[2,3-b][1,4]oxazin-2-one?
The canonical SMILES for 7-acetyl-1-methylpyrido[2,3-b][1,4]oxazin-2-one is CC(=O)c1cnc2c(c1)N(C)C(=O)CO2.
What is the InChIKey of 7-acetyl-1-methylpyrido[2,3-b][1,4]oxazin-2-one?
The InChIKey is LOYVRLXZYSFDJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3/c1-6(13)7-3-8-10(11-4-7)15-5-9(14)12(8)2/h3-4H,5H2,1-2H3.
What are the key properties of 7-acetyl-1-methylpyrido[2,3-b][1,4]oxazin-2-one?
7-acetyl-1-methylpyrido[2,3-b][1,4]oxazin-2-one has a molecular weight of 206.20 g/mol, XLogP of 0.64, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-acetyl-1-methylpyrido[2,3-b][1,4]oxazin-2-one is sourced from PubChem (CID 90292532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).