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

C7H13NO — CID 123341814

IUPAC3,4,6-trimethyl-5,6-dihydro-4H-oxazine
SMILESCC1=NOC(C)CC1C
InChIInChI=1S/C7H13NO/c1-5-4-6(2)9-8-7(5)3/h5-6H,4H2,1-3H3
InChIKeyNMGBLFNZQWNJPZ-UHFFFAOYSA-N
MW127.19 g/mol
LogP1.81
Rot. Bonds

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

3,4,6-trimethyl-5,6-dihydro-4H-oxazine (PubChem CID 123341814) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 3,4,6-trimethyl-5,6-dihydro-4H-oxazine.

Molecular Properties

Compound Name3,4,6-trimethyl-5,6-dihydro-4H-oxazine
PubChem CID123341814
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name3,4,6-trimethyl-5,6-dihydro-4H-oxazine
SMILESCC1=NOC(C)CC1C
InChIInChI=1S/C7H13NO/c1-5-4-6(2)9-8-7(5)3/h5-6H,4H2,1-3H3
InChIKeyNMGBLFNZQWNJPZ-UHFFFAOYSA-N
XLogP1.81
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4,6-trimethyl-5,6-dihydro-4H-oxazine?
The IUPAC name of 3,4,6-trimethyl-5,6-dihydro-4H-oxazine (CID 123341814) is 3,4,6-trimethyl-5,6-dihydro-4H-oxazine.
What is the SMILES notation for 3,4,6-trimethyl-5,6-dihydro-4H-oxazine?
The canonical SMILES for 3,4,6-trimethyl-5,6-dihydro-4H-oxazine is CC1=NOC(C)CC1C.
What is the InChIKey of 3,4,6-trimethyl-5,6-dihydro-4H-oxazine?
The InChIKey is NMGBLFNZQWNJPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-5-4-6(2)9-8-7(5)3/h5-6H,4H2,1-3H3.
What are the key properties of 3,4,6-trimethyl-5,6-dihydro-4H-oxazine?
3,4,6-trimethyl-5,6-dihydro-4H-oxazine has a molecular weight of 127.19 g/mol, XLogP of 1.81, 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-5,6-dihydro-4H-oxazine is sourced from PubChem (CID 123341814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).