5,6-dihydro-2H-1,4-oxazocine

C6H9NO — CID 123868659

IUPAC5,6-dihydro-2H-1,4-oxazocine
SMILESC1=COC/C=N\CC1
InChIInChI=1S/C6H9NO/c1-2-5-8-6-4-7-3-1/h2,4-5H,1,3,6H2/b5-2?,7-4-
InChIKeyUGLHRTVITUWICI-IBCIEUQHSA-N
MW111.14 g/mol
LogP0.99
Rot. Bonds

About 5,6-dihydro-2H-1,4-oxazocine

5,6-dihydro-2H-1,4-oxazocine (PubChem CID 123868659) has the molecular formula C6H9NO and a molecular weight of 111.14 g/mol. Its IUPAC name is 5,6-dihydro-2H-1,4-oxazocine.

Molecular Properties

Compound Name5,6-dihydro-2H-1,4-oxazocine
PubChem CID123868659
Molecular FormulaC6H9NO
Molecular Weight111.14 g/mol
Exact Mass111.07
IUPAC Name5,6-dihydro-2H-1,4-oxazocine
SMILESC1=COC/C=N\CC1
InChIInChI=1S/C6H9NO/c1-2-5-8-6-4-7-3-1/h2,4-5H,1,3,6H2/b5-2?,7-4-
InChIKeyUGLHRTVITUWICI-IBCIEUQHSA-N
XLogP0.99
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.14
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5,6-dihydro-2H-1,4-oxazocine 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 5,6-dihydro-2H-1,4-oxazocine?
The IUPAC name of 5,6-dihydro-2H-1,4-oxazocine (CID 123868659) is 5,6-dihydro-2H-1,4-oxazocine.
What is the SMILES notation for 5,6-dihydro-2H-1,4-oxazocine?
The canonical SMILES for 5,6-dihydro-2H-1,4-oxazocine is C1=COC/C=N\CC1.
What is the InChIKey of 5,6-dihydro-2H-1,4-oxazocine?
The InChIKey is UGLHRTVITUWICI-IBCIEUQHSA-N. The full InChI is InChI=1S/C6H9NO/c1-2-5-8-6-4-7-3-1/h2,4-5H,1,3,6H2/b5-2?,7-4-.
What are the key properties of 5,6-dihydro-2H-1,4-oxazocine?
5,6-dihydro-2H-1,4-oxazocine has a molecular weight of 111.14 g/mol, XLogP of 0.99, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dihydro-2H-1,4-oxazocine is sourced from PubChem (CID 123868659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).