1-(2H-pyrido[3,2-b][1,4]oxazin-7-yl)ethanone

C9H8N2O2 — CID 141003132

IUPAC1-(2H-pyrido[3,2-b][1,4]oxazin-7-yl)ethanone
SMILESCC(=O)c1cnc2c(c1)OCC=N2
InChIInChI=1S/C9H8N2O2/c1-6(12)7-4-8-9(11-5-7)10-2-3-13-8/h2,4-5H,3H2,1H3
InChIKeyYUGVRWZZQVLEOC-UHFFFAOYSA-N
MW176.17 g/mol
LogP1.38
Rot. Bonds1

About 1-(2H-pyrido[3,2-b][1,4]oxazin-7-yl)ethanone

1-(2H-pyrido[3,2-b][1,4]oxazin-7-yl)ethanone (PubChem CID 141003132) has the molecular formula C9H8N2O2 and a molecular weight of 176.17 g/mol. Its IUPAC name is 1-(2H-pyrido[3,2-b][1,4]oxazin-7-yl)ethanone.

Molecular Properties

Compound Name1-(2H-pyrido[3,2-b][1,4]oxazin-7-yl)ethanone
PubChem CID141003132
Molecular FormulaC9H8N2O2
Molecular Weight176.17 g/mol
Exact Mass176.06
IUPAC Name1-(2H-pyrido[3,2-b][1,4]oxazin-7-yl)ethanone
SMILESCC(=O)c1cnc2c(c1)OCC=N2
InChIInChI=1S/C9H8N2O2/c1-6(12)7-4-8-9(11-5-7)10-2-3-13-8/h2,4-5H,3H2,1H3
InChIKeyYUGVRWZZQVLEOC-UHFFFAOYSA-N
XLogP1.38
TPSA51.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2H-pyrido[3,2-b][1,4]oxazin-7-yl)ethanone?
The IUPAC name of 1-(2H-pyrido[3,2-b][1,4]oxazin-7-yl)ethanone (CID 141003132) is 1-(2H-pyrido[3,2-b][1,4]oxazin-7-yl)ethanone.
What is the SMILES notation for 1-(2H-pyrido[3,2-b][1,4]oxazin-7-yl)ethanone?
The canonical SMILES for 1-(2H-pyrido[3,2-b][1,4]oxazin-7-yl)ethanone is CC(=O)c1cnc2c(c1)OCC=N2.
What is the InChIKey of 1-(2H-pyrido[3,2-b][1,4]oxazin-7-yl)ethanone?
The InChIKey is YUGVRWZZQVLEOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2/c1-6(12)7-4-8-9(11-5-7)10-2-3-13-8/h2,4-5H,3H2,1H3.
What are the key properties of 1-(2H-pyrido[3,2-b][1,4]oxazin-7-yl)ethanone?
1-(2H-pyrido[3,2-b][1,4]oxazin-7-yl)ethanone has a molecular weight of 176.17 g/mol, XLogP of 1.38, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2H-pyrido[3,2-b][1,4]oxazin-7-yl)ethanone is sourced from PubChem (CID 141003132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).