1-methyl-1,4-dihydropyrido[2,3-d][1,3]oxazin-1-ium-2-one

C8H9N2O2+ — CID 173058079

IUPAC1-methyl-1,4-dihydropyrido[2,3-d][1,3]oxazin-1-ium-2-one
SMILESC[NH+]1C(=O)OCc2cccnc21
InChIInChI=1S/C8H8N2O2/c1-10-7-6(3-2-4-9-7)5-12-8(10)11/h2-4H,5H2,1H3/p+1
InChIKeyDATWPOFGEWIKFI-UHFFFAOYSA-O
MW165.17 g/mol
LogP-0.12
Rot. Bonds

About 1-methyl-1,4-dihydropyrido[2,3-d][1,3]oxazin-1-ium-2-one

1-methyl-1,4-dihydropyrido[2,3-d][1,3]oxazin-1-ium-2-one (PubChem CID 173058079) has the molecular formula C8H9N2O2+ and a molecular weight of 165.17 g/mol. Its IUPAC name is 1-methyl-1,4-dihydropyrido[2,3-d][1,3]oxazin-1-ium-2-one.

Molecular Properties

Compound Name1-methyl-1,4-dihydropyrido[2,3-d][1,3]oxazin-1-ium-2-one
PubChem CID173058079
Molecular FormulaC8H9N2O2+
Molecular Weight165.17 g/mol
Exact Mass165.07
IUPAC Name1-methyl-1,4-dihydropyrido[2,3-d][1,3]oxazin-1-ium-2-one
SMILESC[NH+]1C(=O)OCc2cccnc21
InChIInChI=1S/C8H8N2O2/c1-10-7-6(3-2-4-9-7)5-12-8(10)11/h2-4H,5H2,1H3/p+1
InChIKeyDATWPOFGEWIKFI-UHFFFAOYSA-O
XLogP-0.12
TPSA43.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.17
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-1,4-dihydropyrido[2,3-d][1,3]oxazin-1-ium-2-one?
The IUPAC name of 1-methyl-1,4-dihydropyrido[2,3-d][1,3]oxazin-1-ium-2-one (CID 173058079) is 1-methyl-1,4-dihydropyrido[2,3-d][1,3]oxazin-1-ium-2-one.
What is the SMILES notation for 1-methyl-1,4-dihydropyrido[2,3-d][1,3]oxazin-1-ium-2-one?
The canonical SMILES for 1-methyl-1,4-dihydropyrido[2,3-d][1,3]oxazin-1-ium-2-one is C[NH+]1C(=O)OCc2cccnc21.
What is the InChIKey of 1-methyl-1,4-dihydropyrido[2,3-d][1,3]oxazin-1-ium-2-one?
The InChIKey is DATWPOFGEWIKFI-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H8N2O2/c1-10-7-6(3-2-4-9-7)5-12-8(10)11/h2-4H,5H2,1H3/p+1.
What are the key properties of 1-methyl-1,4-dihydropyrido[2,3-d][1,3]oxazin-1-ium-2-one?
1-methyl-1,4-dihydropyrido[2,3-d][1,3]oxazin-1-ium-2-one has a molecular weight of 165.17 g/mol, XLogP of -0.12, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1,4-dihydropyrido[2,3-d][1,3]oxazin-1-ium-2-one is sourced from PubChem (CID 173058079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).