2,2,4-trimethyl-3-methylidene-1,4-oxazine

C8H13NO — CID 59815580

IUPAC2,2,4-trimethyl-3-methylidene-1,4-oxazine
SMILESC=C1N(C)C=COC1(C)C
InChIInChI=1S/C8H13NO/c1-7-8(2,3)10-6-5-9(7)4/h5-6H,1H2,2-4H3
InChIKeyUQSJYURTZBOKSQ-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.71
Rot. Bonds

About 2,2,4-trimethyl-3-methylidene-1,4-oxazine

2,2,4-trimethyl-3-methylidene-1,4-oxazine (PubChem CID 59815580) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 2,2,4-trimethyl-3-methylidene-1,4-oxazine.

Molecular Properties

Compound Name2,2,4-trimethyl-3-methylidene-1,4-oxazine
PubChem CID59815580
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name2,2,4-trimethyl-3-methylidene-1,4-oxazine
SMILESC=C1N(C)C=COC1(C)C
InChIInChI=1S/C8H13NO/c1-7-8(2,3)10-6-5-9(7)4/h5-6H,1H2,2-4H3
InChIKeyUQSJYURTZBOKSQ-UHFFFAOYSA-N
XLogP1.71
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,4-trimethyl-3-methylidene-1,4-oxazine?
The IUPAC name of 2,2,4-trimethyl-3-methylidene-1,4-oxazine (CID 59815580) is 2,2,4-trimethyl-3-methylidene-1,4-oxazine.
What is the SMILES notation for 2,2,4-trimethyl-3-methylidene-1,4-oxazine?
The canonical SMILES for 2,2,4-trimethyl-3-methylidene-1,4-oxazine is C=C1N(C)C=COC1(C)C.
What is the InChIKey of 2,2,4-trimethyl-3-methylidene-1,4-oxazine?
The InChIKey is UQSJYURTZBOKSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-7-8(2,3)10-6-5-9(7)4/h5-6H,1H2,2-4H3.
What are the key properties of 2,2,4-trimethyl-3-methylidene-1,4-oxazine?
2,2,4-trimethyl-3-methylidene-1,4-oxazine has a molecular weight of 139.20 g/mol, XLogP of 1.71, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4-trimethyl-3-methylidene-1,4-oxazine is sourced from PubChem (CID 59815580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).