3-ethyl-2-methyl-2,6-dihydro-1,3-oxazine

C7H13NO — CID 123803731

IUPAC3-ethyl-2-methyl-2,6-dihydro-1,3-oxazine
SMILESCCN1C=CCOC1C
InChIInChI=1S/C7H13NO/c1-3-8-5-4-6-9-7(8)2/h4-5,7H,3,6H2,1-2H3
InChIKeyWILQQUADNPRJPI-UHFFFAOYSA-N
MW127.19 g/mol
LogP1.20
Rot. Bonds1

About 3-ethyl-2-methyl-2,6-dihydro-1,3-oxazine

3-ethyl-2-methyl-2,6-dihydro-1,3-oxazine (PubChem CID 123803731) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 3-ethyl-2-methyl-2,6-dihydro-1,3-oxazine.

Molecular Properties

Compound Name3-ethyl-2-methyl-2,6-dihydro-1,3-oxazine
PubChem CID123803731
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name3-ethyl-2-methyl-2,6-dihydro-1,3-oxazine
SMILESCCN1C=CCOC1C
InChIInChI=1S/C7H13NO/c1-3-8-5-4-6-9-7(8)2/h4-5,7H,3,6H2,1-2H3
InChIKeyWILQQUADNPRJPI-UHFFFAOYSA-N
XLogP1.20
TPSA12.47 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 ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-methyl-2,6-dihydro-1,3-oxazine?
The IUPAC name of 3-ethyl-2-methyl-2,6-dihydro-1,3-oxazine (CID 123803731) is 3-ethyl-2-methyl-2,6-dihydro-1,3-oxazine.
What is the SMILES notation for 3-ethyl-2-methyl-2,6-dihydro-1,3-oxazine?
The canonical SMILES for 3-ethyl-2-methyl-2,6-dihydro-1,3-oxazine is CCN1C=CCOC1C.
What is the InChIKey of 3-ethyl-2-methyl-2,6-dihydro-1,3-oxazine?
The InChIKey is WILQQUADNPRJPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-3-8-5-4-6-9-7(8)2/h4-5,7H,3,6H2,1-2H3.
What are the key properties of 3-ethyl-2-methyl-2,6-dihydro-1,3-oxazine?
3-ethyl-2-methyl-2,6-dihydro-1,3-oxazine has a molecular weight of 127.19 g/mol, XLogP of 1.20, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-methyl-2,6-dihydro-1,3-oxazine is sourced from PubChem (CID 123803731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).