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

C9H8N2O2 — CID 118798842

IUPAC6-ethenyl-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESC=Cc1ccc2c(n1)NC(=O)CO2
InChIInChI=1S/C9H8N2O2/c1-2-6-3-4-7-9(10-6)11-8(12)5-13-7/h2-4H,1,5H2,(H,10,11,12)
InChIKeyJIHLPTSYTFXIBB-UHFFFAOYSA-N
MW176.17 g/mol
LogP1.06
Rot. Bonds1

About 6-ethenyl-4H-pyrido[3,2-b][1,4]oxazin-3-one

6-ethenyl-4H-pyrido[3,2-b][1,4]oxazin-3-one (PubChem CID 118798842) has the molecular formula C9H8N2O2 and a molecular weight of 176.17 g/mol. Its IUPAC name is 6-ethenyl-4H-pyrido[3,2-b][1,4]oxazin-3-one.

Molecular Properties

Compound Name6-ethenyl-4H-pyrido[3,2-b][1,4]oxazin-3-one
PubChem CID118798842
Molecular FormulaC9H8N2O2
Molecular Weight176.17 g/mol
Exact Mass176.06
IUPAC Name6-ethenyl-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESC=Cc1ccc2c(n1)NC(=O)CO2
InChIInChI=1S/C9H8N2O2/c1-2-6-3-4-7-9(10-6)11-8(12)5-13-7/h2-4H,1,5H2,(H,10,11,12)
InChIKeyJIHLPTSYTFXIBB-UHFFFAOYSA-N
XLogP1.06
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,3-dioxo-4H-pyrido[3,2-b][1,4]oxazine-6-carboxamide
CID 143404652
6-(4-propan-2-ylphenyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 117001056
6-(2-fluorophenyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 117001046
6-(2-chlorophenyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 117001049
6-(2-oxopyrrolidin-1-yl)-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 144568295
6-(4,5-dihydro-1H-imidazol-2-ylamino)-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 70246014
7-fluoro-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-6-carbaldehyde
CID 89348149
1,2-dimethylcyclohexane;ethane;6-ethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 143875784
2-fluoro-N-[(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methyl]acetamide
CID 141263802
methylsulfanylmethane;6-(2-oxo-1,3-oxazolidin-3-yl)-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 142490527
7-sulfanyl-4H-[1,4]oxazino[3,2-b]quinolin-3-one
CID 155176000
6-ethenyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
CID 86730943

Frequently Asked Questions

What is the IUPAC name of 6-ethenyl-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The IUPAC name of 6-ethenyl-4H-pyrido[3,2-b][1,4]oxazin-3-one (CID 118798842) is 6-ethenyl-4H-pyrido[3,2-b][1,4]oxazin-3-one.
What is the SMILES notation for 6-ethenyl-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The canonical SMILES for 6-ethenyl-4H-pyrido[3,2-b][1,4]oxazin-3-one is C=Cc1ccc2c(n1)NC(=O)CO2.
What is the InChIKey of 6-ethenyl-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The InChIKey is JIHLPTSYTFXIBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2/c1-2-6-3-4-7-9(10-6)11-8(12)5-13-7/h2-4H,1,5H2,(H,10,11,12).
What are the key properties of 6-ethenyl-4H-pyrido[3,2-b][1,4]oxazin-3-one?
6-ethenyl-4H-pyrido[3,2-b][1,4]oxazin-3-one has a molecular weight of 176.17 g/mol, XLogP of 1.06, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenyl-4H-pyrido[3,2-b][1,4]oxazin-3-one is sourced from PubChem (CID 118798842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).