2-but-3-enyloxazine

C8H11NO — CID 69220190

IUPAC2-but-3-enyloxazine
SMILESC=CCCN1C=CC=CO1
InChIInChI=1S/C8H11NO/c1-2-3-6-9-7-4-5-8-10-9/h2,4-5,7-8H,1,3,6H2
InChIKeyKFROJOMMBHVRKL-UHFFFAOYSA-N
MW137.18 g/mol
LogP1.84
Rot. Bonds3

About 2-but-3-enyloxazine

2-but-3-enyloxazine (PubChem CID 69220190) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is 2-but-3-enyloxazine.

Molecular Properties

Compound Name2-but-3-enyloxazine
PubChem CID69220190
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name2-but-3-enyloxazine
SMILESC=CCCN1C=CC=CO1
InChIInChI=1S/C8H11NO/c1-2-3-6-9-7-4-5-8-10-9/h2,4-5,7-8H,1,3,6H2
InChIKeyKFROJOMMBHVRKL-UHFFFAOYSA-N
XLogP1.84
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Ethoxy-dihydropyrrole
CID 69085960
2-Vinyl-3,4-dihydrooxazine
CID 69792050
2-Methyldihydrooxazine
CID 123699310
Ethoxy-1,4,5,6-tetrahydropyridine
CID 129779094
2-Lithiomethyl dihydrooxazine
CID 129669681
2-Ethyl-5,6-dihydrooxazine
CID 171037587
1-ethoxy-4H-pyridine
CID 20549679
2-Pentyloxazine
CID 22999520
2-Butyloxazine
CID 22999528
2-Propyloxazine
CID 22999540
2-Ethyloxazine
CID 22999541
2-[(E)-but-1-enyl]oxazine
CID 23067243

Frequently Asked Questions

What is the IUPAC name of 2-but-3-enyloxazine?
The IUPAC name of 2-but-3-enyloxazine (CID 69220190) is 2-but-3-enyloxazine.
What is the SMILES notation for 2-but-3-enyloxazine?
The canonical SMILES for 2-but-3-enyloxazine is C=CCCN1C=CC=CO1.
What is the InChIKey of 2-but-3-enyloxazine?
The InChIKey is KFROJOMMBHVRKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c1-2-3-6-9-7-4-5-8-10-9/h2,4-5,7-8H,1,3,6H2.
What are the key properties of 2-but-3-enyloxazine?
2-but-3-enyloxazine has a molecular weight of 137.18 g/mol, XLogP of 1.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-enyloxazine is sourced from PubChem (CID 69220190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).