2-but-2-enyl-5,6-dihydro-4H-1,3-oxazine

C8H13NO — CID 175495379

IUPAC2-but-2-enyl-5,6-dihydro-4H-1,3-oxazine
SMILESCC=CCC1=NCCCO1
InChIInChI=1S/C8H13NO/c1-2-3-5-8-9-6-4-7-10-8/h2-3H,4-7H2,1H3
InChIKeyJCXINRLXXZKEFV-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.77
Rot. Bonds2

About 2-but-2-enyl-5,6-dihydro-4H-1,3-oxazine

2-but-2-enyl-5,6-dihydro-4H-1,3-oxazine (PubChem CID 175495379) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 2-but-2-enyl-5,6-dihydro-4H-1,3-oxazine.

Molecular Properties

Compound Name2-but-2-enyl-5,6-dihydro-4H-1,3-oxazine
PubChem CID175495379
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name2-but-2-enyl-5,6-dihydro-4H-1,3-oxazine
SMILESCC=CCC1=NCCCO1
InChIInChI=1S/C8H13NO/c1-2-3-5-8-9-6-4-7-10-8/h2-3H,4-7H2,1H3
InChIKeyJCXINRLXXZKEFV-UHFFFAOYSA-N
XLogP1.77
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-but-2-enyl-5,6-dihydro-4H-1,3-oxazine?
The IUPAC name of 2-but-2-enyl-5,6-dihydro-4H-1,3-oxazine (CID 175495379) is 2-but-2-enyl-5,6-dihydro-4H-1,3-oxazine.
What is the SMILES notation for 2-but-2-enyl-5,6-dihydro-4H-1,3-oxazine?
The canonical SMILES for 2-but-2-enyl-5,6-dihydro-4H-1,3-oxazine is CC=CCC1=NCCCO1.
What is the InChIKey of 2-but-2-enyl-5,6-dihydro-4H-1,3-oxazine?
The InChIKey is JCXINRLXXZKEFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-2-3-5-8-9-6-4-7-10-8/h2-3H,4-7H2,1H3.
What are the key properties of 2-but-2-enyl-5,6-dihydro-4H-1,3-oxazine?
2-but-2-enyl-5,6-dihydro-4H-1,3-oxazine has a molecular weight of 139.20 g/mol, XLogP of 1.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-2-enyl-5,6-dihydro-4H-1,3-oxazine is sourced from PubChem (CID 175495379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).