azepan-1-yl acetate

C8H15NO2 — CID 67537261

IUPACazepan-1-yl acetate
SMILESCC(=O)ON1CCCCCC1
InChIInChI=1S/C8H15NO2/c1-8(10)11-9-6-4-2-3-5-7-9/h2-7H2,1H3
InChIKeyOSNCUJVZQJYZEJ-UHFFFAOYSA-N
MW157.21 g/mol
LogP1.34
Rot. Bonds1

About azepan-1-yl acetate

azepan-1-yl acetate (PubChem CID 67537261) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is azepan-1-yl acetate.

Molecular Properties

Compound Nameazepan-1-yl acetate
PubChem CID67537261
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Nameazepan-1-yl acetate
SMILESCC(=O)ON1CCCCCC1
InChIInChI=1S/C8H15NO2/c1-8(10)11-9-6-4-2-3-5-7-9/h2-7H2,1H3
InChIKeyOSNCUJVZQJYZEJ-UHFFFAOYSA-N
XLogP1.34
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of azepan-1-yl acetate?
The IUPAC name of azepan-1-yl acetate (CID 67537261) is azepan-1-yl acetate.
What is the SMILES notation for azepan-1-yl acetate?
The canonical SMILES for azepan-1-yl acetate is CC(=O)ON1CCCCCC1.
What is the InChIKey of azepan-1-yl acetate?
The InChIKey is OSNCUJVZQJYZEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-8(10)11-9-6-4-2-3-5-7-9/h2-7H2,1H3.
What are the key properties of azepan-1-yl acetate?
azepan-1-yl acetate has a molecular weight of 157.21 g/mol, XLogP of 1.34, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl acetate is sourced from PubChem (CID 67537261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).