6-ethenyl-1,4-oxazepane

C7H13NO — CID 147690927

IUPAC6-ethenyl-1,4-oxazepane
SMILESC=CC1CNCCOC1
InChIInChI=1S/C7H13NO/c1-2-7-5-8-3-4-9-6-7/h2,7-8H,1,3-6H2
InChIKeyGQYQMLZJRHXFLE-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.41
Rot. Bonds1

About 6-ethenyl-1,4-oxazepane

6-ethenyl-1,4-oxazepane (PubChem CID 147690927) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 6-ethenyl-1,4-oxazepane.

Molecular Properties

Compound Name6-ethenyl-1,4-oxazepane
PubChem CID147690927
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name6-ethenyl-1,4-oxazepane
SMILESC=CC1CNCCOC1
InChIInChI=1S/C7H13NO/c1-2-7-5-8-3-4-9-6-7/h2,7-8H,1,3-6H2
InChIKeyGQYQMLZJRHXFLE-UHFFFAOYSA-N
XLogP0.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.41
H-Bond Donors ≤ 51
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 6-ethenyl-1,4-oxazepane?
The IUPAC name of 6-ethenyl-1,4-oxazepane (CID 147690927) is 6-ethenyl-1,4-oxazepane.
What is the SMILES notation for 6-ethenyl-1,4-oxazepane?
The canonical SMILES for 6-ethenyl-1,4-oxazepane is C=CC1CNCCOC1.
What is the InChIKey of 6-ethenyl-1,4-oxazepane?
The InChIKey is GQYQMLZJRHXFLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-2-7-5-8-3-4-9-6-7/h2,7-8H,1,3-6H2.
What are the key properties of 6-ethenyl-1,4-oxazepane?
6-ethenyl-1,4-oxazepane has a molecular weight of 127.19 g/mol, XLogP of 0.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenyl-1,4-oxazepane is sourced from PubChem (CID 147690927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).