2-ethyloxazine

C6H9NO — CID 22999541

IUPAC2-ethyloxazine
SMILESCCN1C=CC=CO1
InChIInChI=1S/C6H9NO/c1-2-7-5-3-4-6-8-7/h3-6H,2H2,1H3
InChIKeyLXNAGQZCIPXXFA-UHFFFAOYSA-N
MW111.14 g/mol
LogP1.28
Rot. Bonds1

About 2-ethyloxazine

2-ethyloxazine (PubChem CID 22999541) has the molecular formula C6H9NO and a molecular weight of 111.14 g/mol. Its IUPAC name is 2-ethyloxazine.

Molecular Properties

Compound Name2-ethyloxazine
PubChem CID22999541
Molecular FormulaC6H9NO
Molecular Weight111.14 g/mol
Exact Mass111.07
IUPAC Name2-ethyloxazine
SMILESCCN1C=CC=CO1
InChIInChI=1S/C6H9NO/c1-2-7-5-3-4-6-8-7/h3-6H,2H2,1H3
InChIKeyLXNAGQZCIPXXFA-UHFFFAOYSA-N
XLogP1.28
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.14
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyloxazine?
The IUPAC name of 2-ethyloxazine (CID 22999541) is 2-ethyloxazine.
What is the SMILES notation for 2-ethyloxazine?
The canonical SMILES for 2-ethyloxazine is CCN1C=CC=CO1.
What is the InChIKey of 2-ethyloxazine?
The InChIKey is LXNAGQZCIPXXFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO/c1-2-7-5-3-4-6-8-7/h3-6H,2H2,1H3.
What are the key properties of 2-ethyloxazine?
2-ethyloxazine has a molecular weight of 111.14 g/mol, XLogP of 1.28, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyloxazine is sourced from PubChem (CID 22999541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).