2-[(E)-but-1-enyl]oxazine

C8H11NO — CID 23067243

IUPAC2-[(E)-but-1-enyl]oxazine
SMILESCC/C=C/N1C=CC=CO1
InChIInChI=1S/C8H11NO/c1-2-3-6-9-7-4-5-8-10-9/h3-8H,2H2,1H3/b6-3+
InChIKeyVQXWCZXKEMFJEN-ZZXKWVIFSA-N
MW137.18 g/mol
LogP2.18
Rot. Bonds2

About 2-[(E)-but-1-enyl]oxazine

2-[(E)-but-1-enyl]oxazine (PubChem CID 23067243) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is 2-[(E)-but-1-enyl]oxazine.

Molecular Properties

Compound Name2-[(E)-but-1-enyl]oxazine
PubChem CID23067243
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name2-[(E)-but-1-enyl]oxazine
SMILESCC/C=C/N1C=CC=CO1
InChIInChI=1S/C8H11NO/c1-2-3-6-9-7-4-5-8-10-9/h3-8H,2H2,1H3/b6-3+
InChIKeyVQXWCZXKEMFJEN-ZZXKWVIFSA-N
XLogP2.18
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-but-1-enyl]oxazine?
The IUPAC name of 2-[(E)-but-1-enyl]oxazine (CID 23067243) is 2-[(E)-but-1-enyl]oxazine.
What is the SMILES notation for 2-[(E)-but-1-enyl]oxazine?
The canonical SMILES for 2-[(E)-but-1-enyl]oxazine is CC/C=C/N1C=CC=CO1.
What is the InChIKey of 2-[(E)-but-1-enyl]oxazine?
The InChIKey is VQXWCZXKEMFJEN-ZZXKWVIFSA-N. The full InChI is InChI=1S/C8H11NO/c1-2-3-6-9-7-4-5-8-10-9/h3-8H,2H2,1H3/b6-3+.
What are the key properties of 2-[(E)-but-1-enyl]oxazine?
2-[(E)-but-1-enyl]oxazine has a molecular weight of 137.18 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-but-1-enyl]oxazine is sourced from PubChem (CID 23067243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).