1-(2-methoxyethyl)-3-(methylamino)-7-methylideneazepan-2-one

C11H20N2O2 — CID 89340851

IUPAC1-(2-methoxyethyl)-3-(methylamino)-7-methylideneazepan-2-one
SMILESC=C1CCCC(NC)C(=O)N1CCOC
InChIInChI=1S/C11H20N2O2/c1-9-5-4-6-10(12-2)11(14)13(9)7-8-15-3/h10,12H,1,4-8H2,2-3H3
InChIKeyNGUYCZVZFBAYNM-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.75
Rot. Bonds4

About 1-(2-methoxyethyl)-3-(methylamino)-7-methylideneazepan-2-one

1-(2-methoxyethyl)-3-(methylamino)-7-methylideneazepan-2-one (PubChem CID 89340851) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-3-(methylamino)-7-methylideneazepan-2-one.

Molecular Properties

Compound Name1-(2-methoxyethyl)-3-(methylamino)-7-methylideneazepan-2-one
PubChem CID89340851
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name1-(2-methoxyethyl)-3-(methylamino)-7-methylideneazepan-2-one
SMILESC=C1CCCC(NC)C(=O)N1CCOC
InChIInChI=1S/C11H20N2O2/c1-9-5-4-6-10(12-2)11(14)13(9)7-8-15-3/h10,12H,1,4-8H2,2-3H3
InChIKeyNGUYCZVZFBAYNM-UHFFFAOYSA-N
XLogP0.75
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-3-(methylamino)-7-methylideneazepan-2-one?
The IUPAC name of 1-(2-methoxyethyl)-3-(methylamino)-7-methylideneazepan-2-one (CID 89340851) is 1-(2-methoxyethyl)-3-(methylamino)-7-methylideneazepan-2-one.
What is the SMILES notation for 1-(2-methoxyethyl)-3-(methylamino)-7-methylideneazepan-2-one?
The canonical SMILES for 1-(2-methoxyethyl)-3-(methylamino)-7-methylideneazepan-2-one is C=C1CCCC(NC)C(=O)N1CCOC.
What is the InChIKey of 1-(2-methoxyethyl)-3-(methylamino)-7-methylideneazepan-2-one?
The InChIKey is NGUYCZVZFBAYNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-9-5-4-6-10(12-2)11(14)13(9)7-8-15-3/h10,12H,1,4-8H2,2-3H3.
What are the key properties of 1-(2-methoxyethyl)-3-(methylamino)-7-methylideneazepan-2-one?
1-(2-methoxyethyl)-3-(methylamino)-7-methylideneazepan-2-one has a molecular weight of 212.29 g/mol, XLogP of 0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-3-(methylamino)-7-methylideneazepan-2-one is sourced from PubChem (CID 89340851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).