4-methyl-3-(methylamino)-1-(oxolan-3-ylmethyl)azepan-2-one

C13H24N2O2 — CID 22985066

IUPAC4-methyl-3-(methylamino)-1-(oxolan-3-ylmethyl)azepan-2-one
SMILESCNC1C(=O)N(CC2CCOC2)CCCC1C
InChIInChI=1S/C13H24N2O2/c1-10-4-3-6-15(13(16)12(10)14-2)8-11-5-7-17-9-11/h10-12,14H,3-9H2,1-2H3
InChIKeyYLUMWXOQVPCANY-UHFFFAOYSA-N
MW240.35 g/mol
LogP0.87
Rot. Bonds3

About 4-methyl-3-(methylamino)-1-(oxolan-3-ylmethyl)azepan-2-one

4-methyl-3-(methylamino)-1-(oxolan-3-ylmethyl)azepan-2-one (PubChem CID 22985066) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 4-methyl-3-(methylamino)-1-(oxolan-3-ylmethyl)azepan-2-one.

Molecular Properties

Compound Name4-methyl-3-(methylamino)-1-(oxolan-3-ylmethyl)azepan-2-one
PubChem CID22985066
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name4-methyl-3-(methylamino)-1-(oxolan-3-ylmethyl)azepan-2-one
SMILESCNC1C(=O)N(CC2CCOC2)CCCC1C
InChIInChI=1S/C13H24N2O2/c1-10-4-3-6-15(13(16)12(10)14-2)8-11-5-7-17-9-11/h10-12,14H,3-9H2,1-2H3
InChIKeyYLUMWXOQVPCANY-UHFFFAOYSA-N
XLogP0.87
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-methyl-3-(methylamino)-1-(oxolan-3-ylmethyl)azepan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(methylamino)-1-(oxolan-3-ylmethyl)azepan-2-one?
The IUPAC name of 4-methyl-3-(methylamino)-1-(oxolan-3-ylmethyl)azepan-2-one (CID 22985066) is 4-methyl-3-(methylamino)-1-(oxolan-3-ylmethyl)azepan-2-one.
What is the SMILES notation for 4-methyl-3-(methylamino)-1-(oxolan-3-ylmethyl)azepan-2-one?
The canonical SMILES for 4-methyl-3-(methylamino)-1-(oxolan-3-ylmethyl)azepan-2-one is CNC1C(=O)N(CC2CCOC2)CCCC1C.
What is the InChIKey of 4-methyl-3-(methylamino)-1-(oxolan-3-ylmethyl)azepan-2-one?
The InChIKey is YLUMWXOQVPCANY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-10-4-3-6-15(13(16)12(10)14-2)8-11-5-7-17-9-11/h10-12,14H,3-9H2,1-2H3.
What are the key properties of 4-methyl-3-(methylamino)-1-(oxolan-3-ylmethyl)azepan-2-one?
4-methyl-3-(methylamino)-1-(oxolan-3-ylmethyl)azepan-2-one has a molecular weight of 240.35 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(methylamino)-1-(oxolan-3-ylmethyl)azepan-2-one is sourced from PubChem (CID 22985066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).