3,5,6-trimethyl-4H-oxazine

C7H11NO — CID 143394248

IUPAC3,5,6-trimethyl-4H-oxazine
SMILESCC1=NOC(C)=C(C)C1
InChIInChI=1S/C7H11NO/c1-5-4-6(2)8-9-7(5)3/h4H2,1-3H3
InChIKeyIIQDARCPIVHWAV-UHFFFAOYSA-N
MW125.17 g/mol
LogP2.08
Rot. Bonds

About 3,5,6-trimethyl-4H-oxazine

3,5,6-trimethyl-4H-oxazine (PubChem CID 143394248) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 3,5,6-trimethyl-4H-oxazine.

Molecular Properties

Compound Name3,5,6-trimethyl-4H-oxazine
PubChem CID143394248
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name3,5,6-trimethyl-4H-oxazine
SMILESCC1=NOC(C)=C(C)C1
InChIInChI=1S/C7H11NO/c1-5-4-6(2)8-9-7(5)3/h4H2,1-3H3
InChIKeyIIQDARCPIVHWAV-UHFFFAOYSA-N
XLogP2.08
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 ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5,6-dimethyl-3-(trifluoromethyl)-4H-oxazine
CID 141902735
3,6-dimethyl-4H-oxazine
CID 142993482
6-tert-butyl-3-methyl-4H-oxazine
CID 143053398

Frequently Asked Questions

What is the IUPAC name of 3,5,6-trimethyl-4H-oxazine?
The IUPAC name of 3,5,6-trimethyl-4H-oxazine (CID 143394248) is 3,5,6-trimethyl-4H-oxazine.
What is the SMILES notation for 3,5,6-trimethyl-4H-oxazine?
The canonical SMILES for 3,5,6-trimethyl-4H-oxazine is CC1=NOC(C)=C(C)C1.
What is the InChIKey of 3,5,6-trimethyl-4H-oxazine?
The InChIKey is IIQDARCPIVHWAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c1-5-4-6(2)8-9-7(5)3/h4H2,1-3H3.
What are the key properties of 3,5,6-trimethyl-4H-oxazine?
3,5,6-trimethyl-4H-oxazine has a molecular weight of 125.17 g/mol, XLogP of 2.08, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,6-trimethyl-4H-oxazine is sourced from PubChem (CID 143394248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).