6-ethyl-2-methyl-3H-oxazepine

C8H13NO — CID 163503241

IUPAC6-ethyl-2-methyl-3H-oxazepine
SMILESCCC1=CON(C)CC=C1
InChIInChI=1S/C8H13NO/c1-3-8-5-4-6-9(2)10-7-8/h4-5,7H,3,6H2,1-2H3
InChIKeyCWNGGCIXPIGCSM-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.71
Rot. Bonds1

About 6-ethyl-2-methyl-3H-oxazepine

6-ethyl-2-methyl-3H-oxazepine (PubChem CID 163503241) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 6-ethyl-2-methyl-3H-oxazepine.

Molecular Properties

Compound Name6-ethyl-2-methyl-3H-oxazepine
PubChem CID163503241
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name6-ethyl-2-methyl-3H-oxazepine
SMILESCCC1=CON(C)CC=C1
InChIInChI=1S/C8H13NO/c1-3-8-5-4-6-9(2)10-7-8/h4-5,7H,3,6H2,1-2H3
InChIKeyCWNGGCIXPIGCSM-UHFFFAOYSA-N
XLogP1.71
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-methyl-3H-oxazepine?
The IUPAC name of 6-ethyl-2-methyl-3H-oxazepine (CID 163503241) is 6-ethyl-2-methyl-3H-oxazepine.
What is the SMILES notation for 6-ethyl-2-methyl-3H-oxazepine?
The canonical SMILES for 6-ethyl-2-methyl-3H-oxazepine is CCC1=CON(C)CC=C1.
What is the InChIKey of 6-ethyl-2-methyl-3H-oxazepine?
The InChIKey is CWNGGCIXPIGCSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-3-8-5-4-6-9(2)10-7-8/h4-5,7H,3,6H2,1-2H3.
What are the key properties of 6-ethyl-2-methyl-3H-oxazepine?
6-ethyl-2-methyl-3H-oxazepine has a molecular weight of 139.20 g/mol, XLogP of 1.71, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-methyl-3H-oxazepine is sourced from PubChem (CID 163503241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).