6-ethenyl-2H-oxazine

C6H7NO — CID 142777499

IUPAC6-ethenyl-2H-oxazine
SMILESC=CC1=CC=CNO1
InChIInChI=1S/C6H7NO/c1-2-6-4-3-5-7-8-6/h2-5,7H,1H2
InChIKeyBXKFJWRDGXXPBL-UHFFFAOYSA-N
MW109.13 g/mol
LogP1.10
Rot. Bonds1

About 6-ethenyl-2H-oxazine

6-ethenyl-2H-oxazine (PubChem CID 142777499) has the molecular formula C6H7NO and a molecular weight of 109.13 g/mol. Its IUPAC name is 6-ethenyl-2H-oxazine.

Molecular Properties

Compound Name6-ethenyl-2H-oxazine
PubChem CID142777499
Molecular FormulaC6H7NO
Molecular Weight109.13 g/mol
Exact Mass109.05
IUPAC Name6-ethenyl-2H-oxazine
SMILESC=CC1=CC=CNO1
InChIInChI=1S/C6H7NO/c1-2-6-4-3-5-7-8-6/h2-5,7H,1H2
InChIKeyBXKFJWRDGXXPBL-UHFFFAOYSA-N
XLogP1.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.13
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-ethenyl-2H-oxazine?
The IUPAC name of 6-ethenyl-2H-oxazine (CID 142777499) is 6-ethenyl-2H-oxazine.
What is the SMILES notation for 6-ethenyl-2H-oxazine?
The canonical SMILES for 6-ethenyl-2H-oxazine is C=CC1=CC=CNO1.
What is the InChIKey of 6-ethenyl-2H-oxazine?
The InChIKey is BXKFJWRDGXXPBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO/c1-2-6-4-3-5-7-8-6/h2-5,7H,1H2.
What are the key properties of 6-ethenyl-2H-oxazine?
6-ethenyl-2H-oxazine has a molecular weight of 109.13 g/mol, XLogP of 1.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenyl-2H-oxazine is sourced from PubChem (CID 142777499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).