1-(2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)ethanone

C9H10N2O2 — CID 16748396

IUPAC1-(2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)ethanone
SMILESCC(=O)N1CCOc2cccnc21
InChIInChI=1S/C9H10N2O2/c1-7(12)11-5-6-13-8-3-2-4-10-9(8)11/h2-4H,5-6H2,1H3
InChIKeyWFIMERAIUXNFGL-UHFFFAOYSA-N
MW178.19 g/mol
LogP0.83
Rot. Bonds

About 1-(2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)ethanone

1-(2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)ethanone (PubChem CID 16748396) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is 1-(2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)ethanone.

Molecular Properties

Compound Name1-(2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)ethanone
PubChem CID16748396
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC Name1-(2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)ethanone
SMILESCC(=O)N1CCOc2cccnc21
InChIInChI=1S/C9H10N2O2/c1-7(12)11-5-6-13-8-3-2-4-10-9(8)11/h2-4H,5-6H2,1H3
InChIKeyWFIMERAIUXNFGL-UHFFFAOYSA-N
XLogP0.83
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)ethanone?
The IUPAC name of 1-(2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)ethanone (CID 16748396) is 1-(2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)ethanone.
What is the SMILES notation for 1-(2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)ethanone?
The canonical SMILES for 1-(2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)ethanone is CC(=O)N1CCOc2cccnc21.
What is the InChIKey of 1-(2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)ethanone?
The InChIKey is WFIMERAIUXNFGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2/c1-7(12)11-5-6-13-8-3-2-4-10-9(8)11/h2-4H,5-6H2,1H3.
What are the key properties of 1-(2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)ethanone?
1-(2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)ethanone has a molecular weight of 178.19 g/mol, XLogP of 0.83, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)ethanone is sourced from PubChem (CID 16748396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).