3-methoxyazepan-2-one

C7H13NO2 — CID 14813900

IUPAC3-methoxyazepan-2-one
SMILESCOC1CCCCNC1=O
InChIInChI=1S/C7H13NO2/c1-10-6-4-2-3-5-8-7(6)9/h6H,2-5H2,1H3,(H,8,9)
InChIKeyORGDAHMDMKCDFX-UHFFFAOYSA-N
MW143.19 g/mol
LogP0.30
Rot. Bonds1

About 3-methoxyazepan-2-one

3-methoxyazepan-2-one (PubChem CID 14813900) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is 3-methoxyazepan-2-one.

Molecular Properties

Compound Name3-methoxyazepan-2-one
PubChem CID14813900
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name3-methoxyazepan-2-one
SMILESCOC1CCCCNC1=O
InChIInChI=1S/C7H13NO2/c1-10-6-4-2-3-5-8-7(6)9/h6H,2-5H2,1H3,(H,8,9)
InChIKeyORGDAHMDMKCDFX-UHFFFAOYSA-N
XLogP0.30
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methoxyazepan-2-one?
The IUPAC name of 3-methoxyazepan-2-one (CID 14813900) is 3-methoxyazepan-2-one.
What is the SMILES notation for 3-methoxyazepan-2-one?
The canonical SMILES for 3-methoxyazepan-2-one is COC1CCCCNC1=O.
What is the InChIKey of 3-methoxyazepan-2-one?
The InChIKey is ORGDAHMDMKCDFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-10-6-4-2-3-5-8-7(6)9/h6H,2-5H2,1H3,(H,8,9).
What are the key properties of 3-methoxyazepan-2-one?
3-methoxyazepan-2-one has a molecular weight of 143.19 g/mol, XLogP of 0.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxyazepan-2-one is sourced from PubChem (CID 14813900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).