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

C8H13NO — CID 172789077

IUPAC2-ethenyl-4,5-dimethyl-5,6-dihydro-4H-1,3-oxazine
SMILESC=CC1=NC(C)C(C)CO1
InChIInChI=1S/C8H13NO/c1-4-8-9-7(3)6(2)5-10-8/h4,6-7H,1,5H2,2-3H3
InChIKeyPHRHUEBINCDGNO-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.63
Rot. Bonds1

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

2-ethenyl-4,5-dimethyl-5,6-dihydro-4H-1,3-oxazine (PubChem CID 172789077) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 2-ethenyl-4,5-dimethyl-5,6-dihydro-4H-1,3-oxazine.

Molecular Properties

Compound Name2-ethenyl-4,5-dimethyl-5,6-dihydro-4H-1,3-oxazine
PubChem CID172789077
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name2-ethenyl-4,5-dimethyl-5,6-dihydro-4H-1,3-oxazine
SMILESC=CC1=NC(C)C(C)CO1
InChIInChI=1S/C8H13NO/c1-4-8-9-7(3)6(2)5-10-8/h4,6-7H,1,5H2,2-3H3
InChIKeyPHRHUEBINCDGNO-UHFFFAOYSA-N
XLogP1.63
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 ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-4,5-dimethyl-5,6-dihydro-4H-1,3-oxazine?
The IUPAC name of 2-ethenyl-4,5-dimethyl-5,6-dihydro-4H-1,3-oxazine (CID 172789077) is 2-ethenyl-4,5-dimethyl-5,6-dihydro-4H-1,3-oxazine.
What is the SMILES notation for 2-ethenyl-4,5-dimethyl-5,6-dihydro-4H-1,3-oxazine?
The canonical SMILES for 2-ethenyl-4,5-dimethyl-5,6-dihydro-4H-1,3-oxazine is C=CC1=NC(C)C(C)CO1.
What is the InChIKey of 2-ethenyl-4,5-dimethyl-5,6-dihydro-4H-1,3-oxazine?
The InChIKey is PHRHUEBINCDGNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-4-8-9-7(3)6(2)5-10-8/h4,6-7H,1,5H2,2-3H3.
What are the key properties of 2-ethenyl-4,5-dimethyl-5,6-dihydro-4H-1,3-oxazine?
2-ethenyl-4,5-dimethyl-5,6-dihydro-4H-1,3-oxazine has a molecular weight of 139.20 g/mol, XLogP of 1.63, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-4,5-dimethyl-5,6-dihydro-4H-1,3-oxazine is sourced from PubChem (CID 172789077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).