2-ethyl-3,4-dihydrooxazine

C6H11NO — CID 163891145

IUPAC2-ethyl-3,4-dihydrooxazine
SMILESCCN1CCC=CO1
InChIInChI=1S/C6H11NO/c1-2-7-5-3-4-6-8-7/h4,6H,2-3,5H2,1H3
InChIKeyQBQULNDAUDXXTQ-UHFFFAOYSA-N
MW113.16 g/mol
LogP1.16
Rot. Bonds1

About 2-ethyl-3,4-dihydrooxazine

2-ethyl-3,4-dihydrooxazine (PubChem CID 163891145) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is 2-ethyl-3,4-dihydrooxazine.

Molecular Properties

Compound Name2-ethyl-3,4-dihydrooxazine
PubChem CID163891145
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name2-ethyl-3,4-dihydrooxazine
SMILESCCN1CCC=CO1
InChIInChI=1S/C6H11NO/c1-2-7-5-3-4-6-8-7/h4,6H,2-3,5H2,1H3
InChIKeyQBQULNDAUDXXTQ-UHFFFAOYSA-N
XLogP1.16
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3,4-dihydrooxazine?
The IUPAC name of 2-ethyl-3,4-dihydrooxazine (CID 163891145) is 2-ethyl-3,4-dihydrooxazine.
What is the SMILES notation for 2-ethyl-3,4-dihydrooxazine?
The canonical SMILES for 2-ethyl-3,4-dihydrooxazine is CCN1CCC=CO1.
What is the InChIKey of 2-ethyl-3,4-dihydrooxazine?
The InChIKey is QBQULNDAUDXXTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO/c1-2-7-5-3-4-6-8-7/h4,6H,2-3,5H2,1H3.
What are the key properties of 2-ethyl-3,4-dihydrooxazine?
2-ethyl-3,4-dihydrooxazine has a molecular weight of 113.16 g/mol, XLogP of 1.16, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3,4-dihydrooxazine is sourced from PubChem (CID 163891145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).