2-ethenyl-4,4-dimethyl-5,6-dihydro-1,3-oxazine

C8H13NO — CID 11970480

IUPAC2-ethenyl-4,4-dimethyl-5,6-dihydro-1,3-oxazine
SMILESC=CC1=NC(C)(C)CCO1
InChIInChI=1S/C8H13NO/c1-4-7-9-8(2,3)5-6-10-7/h4H,1,5-6H2,2-3H3
InChIKeyWFBZXEPSOKWDHQ-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.77
Rot. Bonds1

About 2-ethenyl-4,4-dimethyl-5,6-dihydro-1,3-oxazine

2-ethenyl-4,4-dimethyl-5,6-dihydro-1,3-oxazine (PubChem CID 11970480) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 2-ethenyl-4,4-dimethyl-5,6-dihydro-1,3-oxazine.

Molecular Properties

Compound Name2-ethenyl-4,4-dimethyl-5,6-dihydro-1,3-oxazine
PubChem CID11970480
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name2-ethenyl-4,4-dimethyl-5,6-dihydro-1,3-oxazine
SMILESC=CC1=NC(C)(C)CCO1
InChIInChI=1S/C8H13NO/c1-4-7-9-8(2,3)5-6-10-7/h4H,1,5-6H2,2-3H3
InChIKeyWFBZXEPSOKWDHQ-UHFFFAOYSA-N
XLogP1.77
TPSA21.59 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 ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-ethenyl-4,4-dimethyl-5,6-dihydro-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-4,4-dimethyl-5,6-dihydro-1,3-oxazine?
The IUPAC name of 2-ethenyl-4,4-dimethyl-5,6-dihydro-1,3-oxazine (CID 11970480) is 2-ethenyl-4,4-dimethyl-5,6-dihydro-1,3-oxazine.
What is the SMILES notation for 2-ethenyl-4,4-dimethyl-5,6-dihydro-1,3-oxazine?
The canonical SMILES for 2-ethenyl-4,4-dimethyl-5,6-dihydro-1,3-oxazine is C=CC1=NC(C)(C)CCO1.
What is the InChIKey of 2-ethenyl-4,4-dimethyl-5,6-dihydro-1,3-oxazine?
The InChIKey is WFBZXEPSOKWDHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-4-7-9-8(2,3)5-6-10-7/h4H,1,5-6H2,2-3H3.
What are the key properties of 2-ethenyl-4,4-dimethyl-5,6-dihydro-1,3-oxazine?
2-ethenyl-4,4-dimethyl-5,6-dihydro-1,3-oxazine has a molecular weight of 139.20 g/mol, XLogP of 1.77, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-4,4-dimethyl-5,6-dihydro-1,3-oxazine is sourced from PubChem (CID 11970480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).