3,6-dimethyl-4H-oxazine

C6H9NO — CID 142993482

IUPAC3,6-dimethyl-4H-oxazine
SMILESCC1=CCC(C)=NO1
InChIInChI=1S/C6H9NO/c1-5-3-4-6(2)8-7-5/h4H,3H2,1-2H3
InChIKeyQMSRJSRBAFCCMS-UHFFFAOYSA-N
MW111.14 g/mol
LogP1.69
Rot. Bonds

About 3,6-dimethyl-4H-oxazine

3,6-dimethyl-4H-oxazine (PubChem CID 142993482) has the molecular formula C6H9NO and a molecular weight of 111.14 g/mol. Its IUPAC name is 3,6-dimethyl-4H-oxazine.

Molecular Properties

Compound Name3,6-dimethyl-4H-oxazine
PubChem CID142993482
Molecular FormulaC6H9NO
Molecular Weight111.14 g/mol
Exact Mass111.07
IUPAC Name3,6-dimethyl-4H-oxazine
SMILESCC1=CCC(C)=NO1
InChIInChI=1S/C6H9NO/c1-5-3-4-6(2)8-7-5/h4H,3H2,1-2H3
InChIKeyQMSRJSRBAFCCMS-UHFFFAOYSA-N
XLogP1.69
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 ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5Z)-5-ethylidene-3-methyl-4H-1,2-oxazole
CID 68207955
3,4,6-trimethyl-4H-oxazine
CID 123445894
3-ethyl-4,6-dimethyl-4H-oxazine
CID 142167099
3,5,6-trimethyl-4H-oxazine
CID 143394248
3,6-dimethyl-4H-oxazine;ethane
CID 143399688
6-tert-butyl-3-methyl-4H-oxazine
CID 143053398
(E)-N-prop-1-en-2-yloxycyclohepta-2,5-dien-1-imine
CID 144718973
(E)-N-[(E)-hex-2-en-2-yl]oxy-3-methylbutan-2-imine
CID 178166520

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-4H-oxazine?
The IUPAC name of 3,6-dimethyl-4H-oxazine (CID 142993482) is 3,6-dimethyl-4H-oxazine.
What is the SMILES notation for 3,6-dimethyl-4H-oxazine?
The canonical SMILES for 3,6-dimethyl-4H-oxazine is CC1=CCC(C)=NO1.
What is the InChIKey of 3,6-dimethyl-4H-oxazine?
The InChIKey is QMSRJSRBAFCCMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO/c1-5-3-4-6(2)8-7-5/h4H,3H2,1-2H3.
What are the key properties of 3,6-dimethyl-4H-oxazine?
3,6-dimethyl-4H-oxazine has a molecular weight of 111.14 g/mol, XLogP of 1.69, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-4H-oxazine is sourced from PubChem (CID 142993482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).