2,2-dimethyl-1,4-oxazine

C6H9NO — CID 67374705

IUPAC2,2-dimethyl-1,4-oxazine
SMILESCC1(C)C=NC=CO1
InChIInChI=1S/C6H9NO/c1-6(2)5-7-3-4-8-6/h3-5H,1-2H3
InChIKeyOVCWFQBGAVEGFU-UHFFFAOYSA-N
MW111.14 g/mol
LogP1.34
Rot. Bonds

About 2,2-dimethyl-1,4-oxazine

2,2-dimethyl-1,4-oxazine (PubChem CID 67374705) has the molecular formula C6H9NO and a molecular weight of 111.14 g/mol. Its IUPAC name is 2,2-dimethyl-1,4-oxazine.

Molecular Properties

Compound Name2,2-dimethyl-1,4-oxazine
PubChem CID67374705
Molecular FormulaC6H9NO
Molecular Weight111.14 g/mol
Exact Mass111.07
IUPAC Name2,2-dimethyl-1,4-oxazine
SMILESCC1(C)C=NC=CO1
InChIInChI=1S/C6H9NO/c1-6(2)5-7-3-4-8-6/h3-5H,1-2H3
InChIKeyOVCWFQBGAVEGFU-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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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1,4-oxazine?
The IUPAC name of 2,2-dimethyl-1,4-oxazine (CID 67374705) is 2,2-dimethyl-1,4-oxazine.
What is the SMILES notation for 2,2-dimethyl-1,4-oxazine?
The canonical SMILES for 2,2-dimethyl-1,4-oxazine is CC1(C)C=NC=CO1.
What is the InChIKey of 2,2-dimethyl-1,4-oxazine?
The InChIKey is OVCWFQBGAVEGFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO/c1-6(2)5-7-3-4-8-6/h3-5H,1-2H3.
What are the key properties of 2,2-dimethyl-1,4-oxazine?
2,2-dimethyl-1,4-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 2,2-dimethyl-1,4-oxazine is sourced from PubChem (CID 67374705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).