3-ethoxyazepan-2-one

C8H15NO2 — CID 174943121

IUPAC3-ethoxyazepan-2-one
SMILESCCOC1CCCCNC1=O
InChIInChI=1S/C8H15NO2/c1-2-11-7-5-3-4-6-9-8(7)10/h7H,2-6H2,1H3,(H,9,10)
InChIKeyRCNJSERWVGXZTF-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.69
Rot. Bonds2

About 3-ethoxyazepan-2-one

3-ethoxyazepan-2-one (PubChem CID 174943121) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 3-ethoxyazepan-2-one.

Molecular Properties

Compound Name3-ethoxyazepan-2-one
PubChem CID174943121
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name3-ethoxyazepan-2-one
SMILESCCOC1CCCCNC1=O
InChIInChI=1S/C8H15NO2/c1-2-11-7-5-3-4-6-9-8(7)10/h7H,2-6H2,1H3,(H,9,10)
InChIKeyRCNJSERWVGXZTF-UHFFFAOYSA-N
XLogP0.69
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxyazepan-2-one?
The IUPAC name of 3-ethoxyazepan-2-one (CID 174943121) is 3-ethoxyazepan-2-one.
What is the SMILES notation for 3-ethoxyazepan-2-one?
The canonical SMILES for 3-ethoxyazepan-2-one is CCOC1CCCCNC1=O.
What is the InChIKey of 3-ethoxyazepan-2-one?
The InChIKey is RCNJSERWVGXZTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-2-11-7-5-3-4-6-9-8(7)10/h7H,2-6H2,1H3,(H,9,10).
What are the key properties of 3-ethoxyazepan-2-one?
3-ethoxyazepan-2-one has a molecular weight of 157.21 g/mol, XLogP of 0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxyazepan-2-one is sourced from PubChem (CID 174943121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).