7-methyl-3-(methylamino)-1-(oxiran-2-ylmethyl)azepan-2-one

C11H20N2O2 — CID 22985305

IUPAC7-methyl-3-(methylamino)-1-(oxiran-2-ylmethyl)azepan-2-one
SMILESCNC1CCCC(C)N(CC2CO2)C1=O
InChIInChI=1S/C11H20N2O2/c1-8-4-3-5-10(12-2)11(14)13(8)6-9-7-15-9/h8-10,12H,3-7H2,1-2H3
InChIKeyWXKIWKMDROCSSB-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.37
Rot. Bonds3

About 7-methyl-3-(methylamino)-1-(oxiran-2-ylmethyl)azepan-2-one

7-methyl-3-(methylamino)-1-(oxiran-2-ylmethyl)azepan-2-one (PubChem CID 22985305) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 7-methyl-3-(methylamino)-1-(oxiran-2-ylmethyl)azepan-2-one.

Molecular Properties

Compound Name7-methyl-3-(methylamino)-1-(oxiran-2-ylmethyl)azepan-2-one
PubChem CID22985305
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name7-methyl-3-(methylamino)-1-(oxiran-2-ylmethyl)azepan-2-one
SMILESCNC1CCCC(C)N(CC2CO2)C1=O
InChIInChI=1S/C11H20N2O2/c1-8-4-3-5-10(12-2)11(14)13(8)6-9-7-15-9/h8-10,12H,3-7H2,1-2H3
InChIKeyWXKIWKMDROCSSB-UHFFFAOYSA-N
XLogP0.37
TPSA44.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-(methylamino)-1-(oxiran-2-ylmethyl)azepan-2-one?
The IUPAC name of 7-methyl-3-(methylamino)-1-(oxiran-2-ylmethyl)azepan-2-one (CID 22985305) is 7-methyl-3-(methylamino)-1-(oxiran-2-ylmethyl)azepan-2-one.
What is the SMILES notation for 7-methyl-3-(methylamino)-1-(oxiran-2-ylmethyl)azepan-2-one?
The canonical SMILES for 7-methyl-3-(methylamino)-1-(oxiran-2-ylmethyl)azepan-2-one is CNC1CCCC(C)N(CC2CO2)C1=O.
What is the InChIKey of 7-methyl-3-(methylamino)-1-(oxiran-2-ylmethyl)azepan-2-one?
The InChIKey is WXKIWKMDROCSSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-8-4-3-5-10(12-2)11(14)13(8)6-9-7-15-9/h8-10,12H,3-7H2,1-2H3.
What are the key properties of 7-methyl-3-(methylamino)-1-(oxiran-2-ylmethyl)azepan-2-one?
7-methyl-3-(methylamino)-1-(oxiran-2-ylmethyl)azepan-2-one has a molecular weight of 212.29 g/mol, XLogP of 0.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-(methylamino)-1-(oxiran-2-ylmethyl)azepan-2-one is sourced from PubChem (CID 22985305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).