3,4,6-trimethyl-4H-oxazine

C7H11NO — CID 123445894

IUPAC3,4,6-trimethyl-4H-oxazine
SMILESCC1=CC(C)C(C)=NO1
InChIInChI=1S/C7H11NO/c1-5-4-6(2)9-8-7(5)3/h4-5H,1-3H3
InChIKeyGYJLTLKZCZMFJE-UHFFFAOYSA-N
MW125.17 g/mol
LogP1.93
Rot. Bonds

About 3,4,6-trimethyl-4H-oxazine

3,4,6-trimethyl-4H-oxazine (PubChem CID 123445894) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 3,4,6-trimethyl-4H-oxazine.

Molecular Properties

Compound Name3,4,6-trimethyl-4H-oxazine
PubChem CID123445894
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name3,4,6-trimethyl-4H-oxazine
SMILESCC1=CC(C)C(C)=NO1
InChIInChI=1S/C7H11NO/c1-5-4-6(2)9-8-7(5)3/h4-5H,1-3H3
InChIKeyGYJLTLKZCZMFJE-UHFFFAOYSA-N
XLogP1.93
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 51.93
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
4-ethyl-6-methyl-4H-oxazine
CID 123962480
3-ethyl-4,6-dimethyl-4H-oxazine
CID 142167099
3,6-dimethyl-4H-oxazine
CID 142993482
6-methyl-3-(2-methylpropyl)-4H-oxazine
CID 143219950
3,6-dimethyl-4H-oxazine;ethane
CID 143399688
(Z)-4-imino-5-methylhex-2-en-2-olate
CID 143707882
6-tert-butyl-3-methyl-4H-oxazine
CID 143053398
(E)-N-[(E)-hex-2-en-2-yl]oxy-3-methylbutan-2-imine
CID 178166520

Frequently Asked Questions

What is the IUPAC name of 3,4,6-trimethyl-4H-oxazine?
The IUPAC name of 3,4,6-trimethyl-4H-oxazine (CID 123445894) is 3,4,6-trimethyl-4H-oxazine.
What is the SMILES notation for 3,4,6-trimethyl-4H-oxazine?
The canonical SMILES for 3,4,6-trimethyl-4H-oxazine is CC1=CC(C)C(C)=NO1.
What is the InChIKey of 3,4,6-trimethyl-4H-oxazine?
The InChIKey is GYJLTLKZCZMFJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c1-5-4-6(2)9-8-7(5)3/h4-5H,1-3H3.
What are the key properties of 3,4,6-trimethyl-4H-oxazine?
3,4,6-trimethyl-4H-oxazine has a molecular weight of 125.17 g/mol, XLogP of 1.93, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,6-trimethyl-4H-oxazine is sourced from PubChem (CID 123445894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).