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

C6H11NO — CID 12719496

IUPAC3,4-dimethyl-5,6-dihydro-4H-oxazine
SMILESCC1=NOCCC1C
InChIInChI=1S/C6H11NO/c1-5-3-4-8-7-6(5)2/h5H,3-4H2,1-2H3
InChIKeyKISYLTKAHIRBPV-UHFFFAOYSA-N
MW113.16 g/mol
LogP1.42
Rot. Bonds

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

3,4-dimethyl-5,6-dihydro-4H-oxazine (PubChem CID 12719496) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is 3,4-dimethyl-5,6-dihydro-4H-oxazine.

Molecular Properties

Compound Name3,4-dimethyl-5,6-dihydro-4H-oxazine
PubChem CID12719496
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name3,4-dimethyl-5,6-dihydro-4H-oxazine
SMILESCC1=NOCCC1C
InChIInChI=1S/C6H11NO/c1-5-3-4-8-7-6(5)2/h5H,3-4H2,1-2H3
InChIKeyKISYLTKAHIRBPV-UHFFFAOYSA-N
XLogP1.42
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4H-1,2-Oxazine, 5,6-dihydro-3-methyl-
CID 12307804
(4S,5R)-3,4,5-trimethyl-4,5-dihydro-1,2-oxazole
CID 12794212
3,4,5-Trimethyl-4,5-dihydro-1,2-oxazole
CID 12794213
(4R,5R)-3,4,5-trimethyl-4,5-dihydro-1,2-oxazole
CID 12794215
3,4-Dimethyl-4,5-dihydro-1,2-oxazole
CID 12959091
3-Propan-2-yl-4,5-dihydro-1,2-oxazole
CID 19017381
3,5-dimethyl-5,6-dihydro-4H-oxazine
CID 22965989
(E)-3-methyl-N-(4-methylpentoxy)butan-2-imine
CID 58371706
3-propan-2-yl-5,6-dihydro-4H-oxazine
CID 58473781
4-Ethyl-3,5-dimethyl-4,5-dihydro-1,2-oxazole
CID 59735474
(4R)-3,4,5-trimethyl-4,5-dihydro-1,2-oxazole
CID 89185386
3-Methyl-4-propan-2-yl-4,5-dihydro-1,2-oxazole
CID 89187993

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-5,6-dihydro-4H-oxazine?
The IUPAC name of 3,4-dimethyl-5,6-dihydro-4H-oxazine (CID 12719496) is 3,4-dimethyl-5,6-dihydro-4H-oxazine.
What is the SMILES notation for 3,4-dimethyl-5,6-dihydro-4H-oxazine?
The canonical SMILES for 3,4-dimethyl-5,6-dihydro-4H-oxazine is CC1=NOCCC1C.
What is the InChIKey of 3,4-dimethyl-5,6-dihydro-4H-oxazine?
The InChIKey is KISYLTKAHIRBPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO/c1-5-3-4-8-7-6(5)2/h5H,3-4H2,1-2H3.
What are the key properties of 3,4-dimethyl-5,6-dihydro-4H-oxazine?
3,4-dimethyl-5,6-dihydro-4H-oxazine has a molecular weight of 113.16 g/mol, XLogP of 1.42, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-5,6-dihydro-4H-oxazine is sourced from PubChem (CID 12719496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).