4,5,6-trimethyl-5,6-dihydro-2H-1,3-oxazine

C7H13NO — CID 146774870

IUPAC4,5,6-trimethyl-5,6-dihydro-2H-1,3-oxazine
SMILESCC1=NCOC(C)C1C
InChIInChI=1S/C7H13NO/c1-5-6(2)8-4-9-7(5)3/h5,7H,4H2,1-3H3
InChIKeyRSNLGFVFAIPHEM-UHFFFAOYSA-N
MW127.19 g/mol
LogP1.46
Rot. Bonds

About 4,5,6-trimethyl-5,6-dihydro-2H-1,3-oxazine

4,5,6-trimethyl-5,6-dihydro-2H-1,3-oxazine (PubChem CID 146774870) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 4,5,6-trimethyl-5,6-dihydro-2H-1,3-oxazine.

Molecular Properties

Compound Name4,5,6-trimethyl-5,6-dihydro-2H-1,3-oxazine
PubChem CID146774870
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name4,5,6-trimethyl-5,6-dihydro-2H-1,3-oxazine
SMILESCC1=NCOC(C)C1C
InChIInChI=1S/C7H13NO/c1-5-6(2)8-4-9-7(5)3/h5,7H,4H2,1-3H3
InChIKeyRSNLGFVFAIPHEM-UHFFFAOYSA-N
XLogP1.46
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 ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-propan-2-yl-5,6-dihydro-2H-1,3-oxazine
CID 22898647
(2R,5S,6S)-2,4,5,6-tetramethyl-5,6-dihydro-2H-1,3-oxazine
CID 54381164
5-Ethyl-4-methyl-5,6-dihydro-1,3-oxazine-2-thione
CID 123544519
2,4,5,6-tetramethyl-5,6-dihydro-2H-1,3-oxazine
CID 18719767

Frequently Asked Questions

What is the IUPAC name of 4,5,6-trimethyl-5,6-dihydro-2H-1,3-oxazine?
The IUPAC name of 4,5,6-trimethyl-5,6-dihydro-2H-1,3-oxazine (CID 146774870) is 4,5,6-trimethyl-5,6-dihydro-2H-1,3-oxazine.
What is the SMILES notation for 4,5,6-trimethyl-5,6-dihydro-2H-1,3-oxazine?
The canonical SMILES for 4,5,6-trimethyl-5,6-dihydro-2H-1,3-oxazine is CC1=NCOC(C)C1C.
What is the InChIKey of 4,5,6-trimethyl-5,6-dihydro-2H-1,3-oxazine?
The InChIKey is RSNLGFVFAIPHEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-5-6(2)8-4-9-7(5)3/h5,7H,4H2,1-3H3.
What are the key properties of 4,5,6-trimethyl-5,6-dihydro-2H-1,3-oxazine?
4,5,6-trimethyl-5,6-dihydro-2H-1,3-oxazine has a molecular weight of 127.19 g/mol, XLogP of 1.46, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6-trimethyl-5,6-dihydro-2H-1,3-oxazine is sourced from PubChem (CID 146774870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).