2,2-dimethyl-3,4-dihydropyrido[3,2-b][1,4]oxazine

C9H12N2O — CID 13196546

IUPAC2,2-dimethyl-3,4-dihydropyrido[3,2-b][1,4]oxazine
SMILESCC1(C)CNc2ncccc2O1
InChIInChI=1S/C9H12N2O/c1-9(2)6-11-8-7(12-9)4-3-5-10-8/h3-5H,6H2,1-2H3,(H,10,11)
InChIKeyDEYCWKUHWUXFCX-UHFFFAOYSA-N
MW164.21 g/mol
LogP1.66
Rot. Bonds

About 2,2-dimethyl-3,4-dihydropyrido[3,2-b][1,4]oxazine

2,2-dimethyl-3,4-dihydropyrido[3,2-b][1,4]oxazine (PubChem CID 13196546) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 2,2-dimethyl-3,4-dihydropyrido[3,2-b][1,4]oxazine.

Molecular Properties

Compound Name2,2-dimethyl-3,4-dihydropyrido[3,2-b][1,4]oxazine
PubChem CID13196546
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name2,2-dimethyl-3,4-dihydropyrido[3,2-b][1,4]oxazine
SMILESCC1(C)CNc2ncccc2O1
InChIInChI=1S/C9H12N2O/c1-9(2)6-11-8-7(12-9)4-3-5-10-8/h3-5H,6H2,1-2H3,(H,10,11)
InChIKeyDEYCWKUHWUXFCX-UHFFFAOYSA-N
XLogP1.66
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3,4-dihydropyrido[3,2-b][1,4]oxazine?
The IUPAC name of 2,2-dimethyl-3,4-dihydropyrido[3,2-b][1,4]oxazine (CID 13196546) is 2,2-dimethyl-3,4-dihydropyrido[3,2-b][1,4]oxazine.
What is the SMILES notation for 2,2-dimethyl-3,4-dihydropyrido[3,2-b][1,4]oxazine?
The canonical SMILES for 2,2-dimethyl-3,4-dihydropyrido[3,2-b][1,4]oxazine is CC1(C)CNc2ncccc2O1.
What is the InChIKey of 2,2-dimethyl-3,4-dihydropyrido[3,2-b][1,4]oxazine?
The InChIKey is DEYCWKUHWUXFCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-9(2)6-11-8-7(12-9)4-3-5-10-8/h3-5H,6H2,1-2H3,(H,10,11).
What are the key properties of 2,2-dimethyl-3,4-dihydropyrido[3,2-b][1,4]oxazine?
2,2-dimethyl-3,4-dihydropyrido[3,2-b][1,4]oxazine has a molecular weight of 164.21 g/mol, XLogP of 1.66, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3,4-dihydropyrido[3,2-b][1,4]oxazine is sourced from PubChem (CID 13196546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).