1-(azepan-1-yl)-2-(1-methoxycyclobutyl)ethanone

C13H23NO2 — CID 103517338

IUPAC1-(azepan-1-yl)-2-(1-methoxycyclobutyl)ethanone
SMILESCOC1(CC(=O)N2CCCCCC2)CCC1
InChIInChI=1S/C13H23NO2/c1-16-13(7-6-8-13)11-12(15)14-9-4-2-3-5-10-14/h2-11H2,1H3
InChIKeyDSXYFGYVZIBANP-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.35
Rot. Bonds3

About 1-(azepan-1-yl)-2-(1-methoxycyclobutyl)ethanone

1-(azepan-1-yl)-2-(1-methoxycyclobutyl)ethanone (PubChem CID 103517338) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 1-(azepan-1-yl)-2-(1-methoxycyclobutyl)ethanone.

Molecular Properties

Compound Name1-(azepan-1-yl)-2-(1-methoxycyclobutyl)ethanone
PubChem CID103517338
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name1-(azepan-1-yl)-2-(1-methoxycyclobutyl)ethanone
SMILESCOC1(CC(=O)N2CCCCCC2)CCC1
InChIInChI=1S/C13H23NO2/c1-16-13(7-6-8-13)11-12(15)14-9-4-2-3-5-10-14/h2-11H2,1H3
InChIKeyDSXYFGYVZIBANP-UHFFFAOYSA-N
XLogP2.35
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(azepan-1-yl)-2-(1-methoxycyclobutyl)ethanone 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 1-(azepan-1-yl)-2-(1-methoxycyclobutyl)ethanone?
The IUPAC name of 1-(azepan-1-yl)-2-(1-methoxycyclobutyl)ethanone (CID 103517338) is 1-(azepan-1-yl)-2-(1-methoxycyclobutyl)ethanone.
What is the SMILES notation for 1-(azepan-1-yl)-2-(1-methoxycyclobutyl)ethanone?
The canonical SMILES for 1-(azepan-1-yl)-2-(1-methoxycyclobutyl)ethanone is COC1(CC(=O)N2CCCCCC2)CCC1.
What is the InChIKey of 1-(azepan-1-yl)-2-(1-methoxycyclobutyl)ethanone?
The InChIKey is DSXYFGYVZIBANP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-16-13(7-6-8-13)11-12(15)14-9-4-2-3-5-10-14/h2-11H2,1H3.
What are the key properties of 1-(azepan-1-yl)-2-(1-methoxycyclobutyl)ethanone?
1-(azepan-1-yl)-2-(1-methoxycyclobutyl)ethanone has a molecular weight of 225.33 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azepan-1-yl)-2-(1-methoxycyclobutyl)ethanone is sourced from PubChem (CID 103517338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).