2,6-dimethyl-4H-1,3-oxazine

C6H9NO — CID 142005861

IUPAC2,6-dimethyl-4H-1,3-oxazine
SMILESCC1=CCN=C(C)O1
InChIInChI=1S/C6H9NO/c1-5-3-4-7-6(2)8-5/h3H,4H2,1-2H3
InChIKeyGXUJZYFJLCEPFR-UHFFFAOYSA-N
MW111.14 g/mol
LogP1.34
Rot. Bonds

About 2,6-dimethyl-4H-1,3-oxazine

2,6-dimethyl-4H-1,3-oxazine (PubChem CID 142005861) has the molecular formula C6H9NO and a molecular weight of 111.14 g/mol. Its IUPAC name is 2,6-dimethyl-4H-1,3-oxazine.

Molecular Properties

Compound Name2,6-dimethyl-4H-1,3-oxazine
PubChem CID142005861
Molecular FormulaC6H9NO
Molecular Weight111.14 g/mol
Exact Mass111.07
IUPAC Name2,6-dimethyl-4H-1,3-oxazine
SMILESCC1=CCN=C(C)O1
InChIInChI=1S/C6H9NO/c1-5-3-4-7-6(2)8-5/h3H,4H2,1-2H3
InChIKeyGXUJZYFJLCEPFR-UHFFFAOYSA-N
XLogP1.34
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.14
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(E)-but-2-en-2-yl] N-methylethanimidate
CID 141985951
[(Z)-but-2-en-2-yl] N-methylpropanimidate
CID 142178260
prop-1-en-2-yl N-ethylethanimidate
CID 145118105
N-[(Z)-3-prop-1-en-2-yloxybut-2-enyl]prop-2-en-1-imine
CID 145079594

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4H-1,3-oxazine?
The IUPAC name of 2,6-dimethyl-4H-1,3-oxazine (CID 142005861) is 2,6-dimethyl-4H-1,3-oxazine.
What is the SMILES notation for 2,6-dimethyl-4H-1,3-oxazine?
The canonical SMILES for 2,6-dimethyl-4H-1,3-oxazine is CC1=CCN=C(C)O1.
What is the InChIKey of 2,6-dimethyl-4H-1,3-oxazine?
The InChIKey is GXUJZYFJLCEPFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO/c1-5-3-4-7-6(2)8-5/h3H,4H2,1-2H3.
What are the key properties of 2,6-dimethyl-4H-1,3-oxazine?
2,6-dimethyl-4H-1,3-oxazine has a molecular weight of 111.14 g/mol, XLogP of 1.34, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4H-1,3-oxazine is sourced from PubChem (CID 142005861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).