2-ethenyl-4-phenyl-5,6-dihydro-4H-1,3-oxazine

C12H13NO — CID 12864648

IUPAC2-ethenyl-4-phenyl-5,6-dihydro-4H-1,3-oxazine
SMILESC=CC1=NC(c2ccccc2)CCO1
InChIInChI=1S/C12H13NO/c1-2-12-13-11(8-9-14-12)10-6-4-3-5-7-10/h2-7,11H,1,8-9H2
InChIKeyDNWIJOKXYFNADP-UHFFFAOYSA-N
MW187.24 g/mol
LogP2.73
Rot. Bonds2

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

2-ethenyl-4-phenyl-5,6-dihydro-4H-1,3-oxazine (PubChem CID 12864648) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is 2-ethenyl-4-phenyl-5,6-dihydro-4H-1,3-oxazine.

Molecular Properties

Compound Name2-ethenyl-4-phenyl-5,6-dihydro-4H-1,3-oxazine
PubChem CID12864648
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name2-ethenyl-4-phenyl-5,6-dihydro-4H-1,3-oxazine
SMILESC=CC1=NC(c2ccccc2)CCO1
InChIInChI=1S/C12H13NO/c1-2-12-13-11(8-9-14-12)10-6-4-3-5-7-10/h2-7,11H,1,8-9H2
InChIKeyDNWIJOKXYFNADP-UHFFFAOYSA-N
XLogP2.73
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-ethenyl-4-phenyl-5,6-dihydro-4H-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-phenyl-5,6-dihydro-4H-1,3-oxazine?
The IUPAC name of 2-ethenyl-4-phenyl-5,6-dihydro-4H-1,3-oxazine (CID 12864648) is 2-ethenyl-4-phenyl-5,6-dihydro-4H-1,3-oxazine.
What is the SMILES notation for 2-ethenyl-4-phenyl-5,6-dihydro-4H-1,3-oxazine?
The canonical SMILES for 2-ethenyl-4-phenyl-5,6-dihydro-4H-1,3-oxazine is C=CC1=NC(c2ccccc2)CCO1.
What is the InChIKey of 2-ethenyl-4-phenyl-5,6-dihydro-4H-1,3-oxazine?
The InChIKey is DNWIJOKXYFNADP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO/c1-2-12-13-11(8-9-14-12)10-6-4-3-5-7-10/h2-7,11H,1,8-9H2.
What are the key properties of 2-ethenyl-4-phenyl-5,6-dihydro-4H-1,3-oxazine?
2-ethenyl-4-phenyl-5,6-dihydro-4H-1,3-oxazine has a molecular weight of 187.24 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-4-phenyl-5,6-dihydro-4H-1,3-oxazine is sourced from PubChem (CID 12864648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).