3-ethyl-1,3-oxazepan-4-one

C7H13NO2 — CID 15561484

IUPAC3-ethyl-1,3-oxazepan-4-one
SMILESCCN1COCCCC1=O
InChIInChI=1S/C7H13NO2/c1-2-8-6-10-5-3-4-7(8)9/h2-6H2,1H3
InChIKeyUWFXMBTZQINTEX-UHFFFAOYSA-N
MW143.19 g/mol
LogP0.60
Rot. Bonds1

About 3-ethyl-1,3-oxazepan-4-one

3-ethyl-1,3-oxazepan-4-one (PubChem CID 15561484) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is 3-ethyl-1,3-oxazepan-4-one.

Molecular Properties

Compound Name3-ethyl-1,3-oxazepan-4-one
PubChem CID15561484
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name3-ethyl-1,3-oxazepan-4-one
SMILESCCN1COCCCC1=O
InChIInChI=1S/C7H13NO2/c1-2-8-6-10-5-3-4-7(8)9/h2-6H2,1H3
InChIKeyUWFXMBTZQINTEX-UHFFFAOYSA-N
XLogP0.60
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1,3-oxazepan-4-one?
The IUPAC name of 3-ethyl-1,3-oxazepan-4-one (CID 15561484) is 3-ethyl-1,3-oxazepan-4-one.
What is the SMILES notation for 3-ethyl-1,3-oxazepan-4-one?
The canonical SMILES for 3-ethyl-1,3-oxazepan-4-one is CCN1COCCCC1=O.
What is the InChIKey of 3-ethyl-1,3-oxazepan-4-one?
The InChIKey is UWFXMBTZQINTEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-2-8-6-10-5-3-4-7(8)9/h2-6H2,1H3.
What are the key properties of 3-ethyl-1,3-oxazepan-4-one?
3-ethyl-1,3-oxazepan-4-one has a molecular weight of 143.19 g/mol, XLogP of 0.60, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1,3-oxazepan-4-one is sourced from PubChem (CID 15561484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).