2-ethyloxazepane

C7H15NO — CID 89216062

IUPAC2-ethyloxazepane
SMILESCCN1CCCCCO1
InChIInChI=1S/C7H15NO/c1-2-8-6-4-3-5-7-9-8/h2-7H2,1H3
InChIKeyQGRVIVYTJRNPIC-UHFFFAOYSA-N
MW129.20 g/mol
LogP1.42
Rot. Bonds1

About 2-ethyloxazepane

2-ethyloxazepane (PubChem CID 89216062) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is 2-ethyloxazepane.

Molecular Properties

Compound Name2-ethyloxazepane
PubChem CID89216062
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name2-ethyloxazepane
SMILESCCN1CCCCCO1
InChIInChI=1S/C7H15NO/c1-2-8-6-4-3-5-7-9-8/h2-7H2,1H3
InChIKeyQGRVIVYTJRNPIC-UHFFFAOYSA-N
XLogP1.42
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyloxazepane?
The IUPAC name of 2-ethyloxazepane (CID 89216062) is 2-ethyloxazepane.
What is the SMILES notation for 2-ethyloxazepane?
The canonical SMILES for 2-ethyloxazepane is CCN1CCCCCO1.
What is the InChIKey of 2-ethyloxazepane?
The InChIKey is QGRVIVYTJRNPIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-2-8-6-4-3-5-7-9-8/h2-7H2,1H3.
What are the key properties of 2-ethyloxazepane?
2-ethyloxazepane has a molecular weight of 129.20 g/mol, XLogP of 1.42, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyloxazepane is sourced from PubChem (CID 89216062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).