7-ethenyl-1,4-oxazonane

C9H17NO — CID 166735015

IUPAC7-ethenyl-1,4-oxazonane
SMILESC=CC1CCNCCOCC1
InChIInChI=1S/C9H17NO/c1-2-9-3-5-10-6-8-11-7-4-9/h2,9-10H,1,3-8H2
InChIKeyXJGSDEHHFBHJHR-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.19
Rot. Bonds1

About 7-ethenyl-1,4-oxazonane

7-ethenyl-1,4-oxazonane (PubChem CID 166735015) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 7-ethenyl-1,4-oxazonane.

Molecular Properties

Compound Name7-ethenyl-1,4-oxazonane
PubChem CID166735015
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name7-ethenyl-1,4-oxazonane
SMILESC=CC1CCNCCOCC1
InChIInChI=1S/C9H17NO/c1-2-9-3-5-10-6-8-11-7-4-9/h2,9-10H,1,3-8H2
InChIKeyXJGSDEHHFBHJHR-UHFFFAOYSA-N
XLogP1.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.19
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 7-ethenyl-1,4-oxazonane?
The IUPAC name of 7-ethenyl-1,4-oxazonane (CID 166735015) is 7-ethenyl-1,4-oxazonane.
What is the SMILES notation for 7-ethenyl-1,4-oxazonane?
The canonical SMILES for 7-ethenyl-1,4-oxazonane is C=CC1CCNCCOCC1.
What is the InChIKey of 7-ethenyl-1,4-oxazonane?
The InChIKey is XJGSDEHHFBHJHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-2-9-3-5-10-6-8-11-7-4-9/h2,9-10H,1,3-8H2.
What are the key properties of 7-ethenyl-1,4-oxazonane?
7-ethenyl-1,4-oxazonane has a molecular weight of 155.24 g/mol, XLogP of 1.19, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethenyl-1,4-oxazonane is sourced from PubChem (CID 166735015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).