5-methyl-1,2,3,4a-tetrahydropyrido[2,3-b][1,4]oxazine

C8H12N2O — CID 66936530

IUPAC5-methyl-1,2,3,4a-tetrahydropyrido[2,3-b][1,4]oxazine
SMILESCN1C=CC=C2NCCOC21
InChIInChI=1S/C8H12N2O/c1-10-5-2-3-7-8(10)11-6-4-9-7/h2-3,5,8-9H,4,6H2,1H3
InChIKeyWCYSQWJKNYYUCZ-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.28
Rot. Bonds

About 5-methyl-1,2,3,4a-tetrahydropyrido[2,3-b][1,4]oxazine

5-methyl-1,2,3,4a-tetrahydropyrido[2,3-b][1,4]oxazine (PubChem CID 66936530) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 5-methyl-1,2,3,4a-tetrahydropyrido[2,3-b][1,4]oxazine.

Molecular Properties

Compound Name5-methyl-1,2,3,4a-tetrahydropyrido[2,3-b][1,4]oxazine
PubChem CID66936530
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name5-methyl-1,2,3,4a-tetrahydropyrido[2,3-b][1,4]oxazine
SMILESCN1C=CC=C2NCCOC21
InChIInChI=1S/C8H12N2O/c1-10-5-2-3-7-8(10)11-6-4-9-7/h2-3,5,8-9H,4,6H2,1H3
InChIKeyWCYSQWJKNYYUCZ-UHFFFAOYSA-N
XLogP0.28
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1,2,3,4a-tetrahydropyrido[2,3-b][1,4]oxazine?
The IUPAC name of 5-methyl-1,2,3,4a-tetrahydropyrido[2,3-b][1,4]oxazine (CID 66936530) is 5-methyl-1,2,3,4a-tetrahydropyrido[2,3-b][1,4]oxazine.
What is the SMILES notation for 5-methyl-1,2,3,4a-tetrahydropyrido[2,3-b][1,4]oxazine?
The canonical SMILES for 5-methyl-1,2,3,4a-tetrahydropyrido[2,3-b][1,4]oxazine is CN1C=CC=C2NCCOC21.
What is the InChIKey of 5-methyl-1,2,3,4a-tetrahydropyrido[2,3-b][1,4]oxazine?
The InChIKey is WCYSQWJKNYYUCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-10-5-2-3-7-8(10)11-6-4-9-7/h2-3,5,8-9H,4,6H2,1H3.
What are the key properties of 5-methyl-1,2,3,4a-tetrahydropyrido[2,3-b][1,4]oxazine?
5-methyl-1,2,3,4a-tetrahydropyrido[2,3-b][1,4]oxazine has a molecular weight of 152.20 g/mol, XLogP of 0.28, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1,2,3,4a-tetrahydropyrido[2,3-b][1,4]oxazine is sourced from PubChem (CID 66936530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).