methoxymethane;1-methylazepan-4-one

C9H19NO2 — CID 143907303

IUPACmethoxymethane;1-methylazepan-4-one
SMILESCN1CCCC(=O)CC1.COC
InChIInChI=1S/C7H13NO.C2H6O/c1-8-5-2-3-7(9)4-6-8;1-3-2/h2-6H2,1H3;1-2H3
InChIKeyXTECVXFYRCXTIY-UHFFFAOYSA-N
MW173.26 g/mol
LogP0.93
Rot. Bonds

About methoxymethane;1-methylazepan-4-one

methoxymethane;1-methylazepan-4-one (PubChem CID 143907303) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is methoxymethane;1-methylazepan-4-one.

Molecular Properties

Compound Namemethoxymethane;1-methylazepan-4-one
PubChem CID143907303
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Namemethoxymethane;1-methylazepan-4-one
SMILESCN1CCCC(=O)CC1.COC
InChIInChI=1S/C7H13NO.C2H6O/c1-8-5-2-3-7(9)4-6-8;1-3-2/h2-6H2,1H3;1-2H3
InChIKeyXTECVXFYRCXTIY-UHFFFAOYSA-N
XLogP0.93
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methoxymethane;1-methylazepan-4-one?
The IUPAC name of methoxymethane;1-methylazepan-4-one (CID 143907303) is methoxymethane;1-methylazepan-4-one.
What is the SMILES notation for methoxymethane;1-methylazepan-4-one?
The canonical SMILES for methoxymethane;1-methylazepan-4-one is CN1CCCC(=O)CC1.COC.
What is the InChIKey of methoxymethane;1-methylazepan-4-one?
The InChIKey is XTECVXFYRCXTIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO.C2H6O/c1-8-5-2-3-7(9)4-6-8;1-3-2/h2-6H2,1H3;1-2H3.
What are the key properties of methoxymethane;1-methylazepan-4-one?
methoxymethane;1-methylazepan-4-one has a molecular weight of 173.26 g/mol, XLogP of 0.93, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methoxymethane;1-methylazepan-4-one is sourced from PubChem (CID 143907303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).