2-ethenyl-3,6-dihydro-2H-1,3-oxazine

C6H9NO — CID 22754635

IUPAC2-ethenyl-3,6-dihydro-2H-1,3-oxazine
SMILESC=CC1NC=CCO1
InChIInChI=1S/C6H9NO/c1-2-6-7-4-3-5-8-6/h2-4,6-7H,1,5H2
InChIKeyPOINQCIVOLDXAE-UHFFFAOYSA-N
MW111.14 g/mol
LogP0.63
Rot. Bonds1

About 2-ethenyl-3,6-dihydro-2H-1,3-oxazine

2-ethenyl-3,6-dihydro-2H-1,3-oxazine (PubChem CID 22754635) has the molecular formula C6H9NO and a molecular weight of 111.14 g/mol. Its IUPAC name is 2-ethenyl-3,6-dihydro-2H-1,3-oxazine.

Molecular Properties

Compound Name2-ethenyl-3,6-dihydro-2H-1,3-oxazine
PubChem CID22754635
Molecular FormulaC6H9NO
Molecular Weight111.14 g/mol
Exact Mass111.07
IUPAC Name2-ethenyl-3,6-dihydro-2H-1,3-oxazine
SMILESC=CC1NC=CCO1
InChIInChI=1S/C6H9NO/c1-2-6-7-4-3-5-8-6/h2-4,6-7H,1,5H2
InChIKeyPOINQCIVOLDXAE-UHFFFAOYSA-N
XLogP0.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.14
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-ethenyl-3,6-dihydro-2H-1,3-oxazine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-3,6-dihydro-2H-1,3-oxazine?
The IUPAC name of 2-ethenyl-3,6-dihydro-2H-1,3-oxazine (CID 22754635) is 2-ethenyl-3,6-dihydro-2H-1,3-oxazine.
What is the SMILES notation for 2-ethenyl-3,6-dihydro-2H-1,3-oxazine?
The canonical SMILES for 2-ethenyl-3,6-dihydro-2H-1,3-oxazine is C=CC1NC=CCO1.
What is the InChIKey of 2-ethenyl-3,6-dihydro-2H-1,3-oxazine?
The InChIKey is POINQCIVOLDXAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO/c1-2-6-7-4-3-5-8-6/h2-4,6-7H,1,5H2.
What are the key properties of 2-ethenyl-3,6-dihydro-2H-1,3-oxazine?
2-ethenyl-3,6-dihydro-2H-1,3-oxazine has a molecular weight of 111.14 g/mol, XLogP of 0.63, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-3,6-dihydro-2H-1,3-oxazine is sourced from PubChem (CID 22754635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).