6-ethyl-3-methyl-5,6-dihydro-4H-oxazine

C7H13NO — CID 142008119

IUPAC6-ethyl-3-methyl-5,6-dihydro-4H-oxazine
SMILESCCC1CCC(C)=NO1
InChIInChI=1S/C7H13NO/c1-3-7-5-4-6(2)8-9-7/h7H,3-5H2,1-2H3
InChIKeyJSQAYWGJXIZXDC-UHFFFAOYSA-N
MW127.19 g/mol
LogP1.95
Rot. Bonds1

About 6-ethyl-3-methyl-5,6-dihydro-4H-oxazine

6-ethyl-3-methyl-5,6-dihydro-4H-oxazine (PubChem CID 142008119) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 6-ethyl-3-methyl-5,6-dihydro-4H-oxazine.

Molecular Properties

Compound Name6-ethyl-3-methyl-5,6-dihydro-4H-oxazine
PubChem CID142008119
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name6-ethyl-3-methyl-5,6-dihydro-4H-oxazine
SMILESCCC1CCC(C)=NO1
InChIInChI=1S/C7H13NO/c1-3-7-5-4-6(2)8-9-7/h7H,3-5H2,1-2H3
InChIKeyJSQAYWGJXIZXDC-UHFFFAOYSA-N
XLogP1.95
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-ethyl-3-methyl-5,6-dihydro-4H-oxazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,5-Dimethyl-4,5-dihydro-1,2-oxazole
CID 12228202
4H-1,2-Oxazine, 5,6-dihydro-3-methyl-
CID 12307804
6-ethyl-3-(trifluoromethyl)-5,6-dihydro-4H-oxazine
CID 20726710
3-methyl-6-(trifluoromethyl)-5,6-dihydro-4H-oxazine
CID 58815448
6-(iodomethyl)-3-methyl-5,6-dihydro-4H-oxazine
CID 23245808
3-ethyl-5,6-dihydro-4H-1,2-oxazine
CID 12719500
3-Methyl-5-butylisoxazoline
CID 13358884
3-Ethyl-5-methyl-4,5-dihydro-1,2-oxazole
CID 14401180
5-Ethyl-3-methyl-4,5-dihydro-1,2-oxazole
CID 14746748
3,5-Diethyl-4,5-dihydro-1,2-oxazole
CID 21021864
5-Methyl-3-propyl-4,5-dihydro-1,2-oxazole
CID 23397000
3-Methyl-5-propyl-4,5-dihydro-1,2-oxazole
CID 23542520

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3-methyl-5,6-dihydro-4H-oxazine?
The IUPAC name of 6-ethyl-3-methyl-5,6-dihydro-4H-oxazine (CID 142008119) is 6-ethyl-3-methyl-5,6-dihydro-4H-oxazine.
What is the SMILES notation for 6-ethyl-3-methyl-5,6-dihydro-4H-oxazine?
The canonical SMILES for 6-ethyl-3-methyl-5,6-dihydro-4H-oxazine is CCC1CCC(C)=NO1.
What is the InChIKey of 6-ethyl-3-methyl-5,6-dihydro-4H-oxazine?
The InChIKey is JSQAYWGJXIZXDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-3-7-5-4-6(2)8-9-7/h7H,3-5H2,1-2H3.
What are the key properties of 6-ethyl-3-methyl-5,6-dihydro-4H-oxazine?
6-ethyl-3-methyl-5,6-dihydro-4H-oxazine has a molecular weight of 127.19 g/mol, XLogP of 1.95, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3-methyl-5,6-dihydro-4H-oxazine is sourced from PubChem (CID 142008119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).