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

C10H12N2O2 — CID 165111570

IUPAC1-(2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)propan-1-one
SMILESCCC(=O)N1CCOc2ncccc21
InChIInChI=1S/C10H12N2O2/c1-2-9(13)12-6-7-14-10-8(12)4-3-5-11-10/h3-5H,2,6-7H2,1H3
InChIKeyCLJYSIDDPHCCHD-UHFFFAOYSA-N
MW192.22 g/mol
LogP1.22
Rot. Bonds1

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

1-(2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)propan-1-one (PubChem CID 165111570) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 1-(2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)propan-1-one
PubChem CID165111570
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name1-(2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)propan-1-one
SMILESCCC(=O)N1CCOc2ncccc21
InChIInChI=1S/C10H12N2O2/c1-2-9(13)12-6-7-14-10-8(12)4-3-5-11-10/h3-5H,2,6-7H2,1H3
InChIKeyCLJYSIDDPHCCHD-UHFFFAOYSA-N
XLogP1.22
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 51.22
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[2,3-b][1,4]oxazin-1-yl)propan-1-one?
The IUPAC name of 1-(2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)propan-1-one (CID 165111570) is 1-(2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)propan-1-one.
What is the SMILES notation for 1-(2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)propan-1-one?
The canonical SMILES for 1-(2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)propan-1-one is CCC(=O)N1CCOc2ncccc21.
What is the InChIKey of 1-(2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)propan-1-one?
The InChIKey is CLJYSIDDPHCCHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c1-2-9(13)12-6-7-14-10-8(12)4-3-5-11-10/h3-5H,2,6-7H2,1H3.
What are the key properties of 1-(2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)propan-1-one?
1-(2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)propan-1-one has a molecular weight of 192.22 g/mol, XLogP of 1.22, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)propan-1-one is sourced from PubChem (CID 165111570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).