cyclopentyl-[2-(hydroxymethyl)azepan-1-yl]methanone

C13H23NO2 — CID 116636172

IUPACcyclopentyl-[2-(hydroxymethyl)azepan-1-yl]methanone
SMILESO=C(C1CCCC1)N1CCCCCC1CO
InChIInChI=1S/C13H23NO2/c15-10-12-8-2-1-5-9-14(12)13(16)11-6-3-4-7-11/h11-12,15H,1-10H2
InChIKeyZUKDDWBOJKLAAV-UHFFFAOYSA-N
MW225.33 g/mol
LogP1.94
Rot. Bonds2

About cyclopentyl-[2-(hydroxymethyl)azepan-1-yl]methanone

cyclopentyl-[2-(hydroxymethyl)azepan-1-yl]methanone (PubChem CID 116636172) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is cyclopentyl-[2-(hydroxymethyl)azepan-1-yl]methanone.

Molecular Properties

Compound Namecyclopentyl-[2-(hydroxymethyl)azepan-1-yl]methanone
PubChem CID116636172
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Namecyclopentyl-[2-(hydroxymethyl)azepan-1-yl]methanone
SMILESO=C(C1CCCC1)N1CCCCCC1CO
InChIInChI=1S/C13H23NO2/c15-10-12-8-2-1-5-9-14(12)13(16)11-6-3-4-7-11/h11-12,15H,1-10H2
InChIKeyZUKDDWBOJKLAAV-UHFFFAOYSA-N
XLogP1.94
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze cyclopentyl-[2-(hydroxymethyl)azepan-1-yl]methanone with MolForge

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

Launch Full Analysis

Related Compounds

cyclopentyl-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 79030199
4-[2-(hydroxymethyl)azepane-1-carbonyl]cyclohexane-1-carboxylic acid
CID 116635794
[4-(aminomethyl)cyclohexyl]-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 104963820
(1,1-dioxothiolan-3-yl)-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116636225
[2-(chloromethyl)piperidin-1-yl]-cyclohexylmethanone
CID 63395604
cyclohexyl-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 798108
[2-(bromomethyl)piperidin-1-yl]-cyclooctylmethanone
CID 80660817
[2-(aminomethyl)pyrrolidin-1-yl]-cyclohexylmethanone;hydrochloride
CID 119261191
2-[2-(hydroxymethyl)azepane-1-carbonyl]cyclohexane-1-carboxylic acid
CID 116634329
1-[4-[2-(hydroxymethyl)piperidine-1-carbonyl]piperidin-1-yl]propan-1-one
CID 131933868
1-[3-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone
CID 61409138
[2-(2-aminoethyl)piperidin-1-yl]-cyclohexylmethanone
CID 63755194

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[2-(hydroxymethyl)azepan-1-yl]methanone?
The IUPAC name of cyclopentyl-[2-(hydroxymethyl)azepan-1-yl]methanone (CID 116636172) is cyclopentyl-[2-(hydroxymethyl)azepan-1-yl]methanone.
What is the SMILES notation for cyclopentyl-[2-(hydroxymethyl)azepan-1-yl]methanone?
The canonical SMILES for cyclopentyl-[2-(hydroxymethyl)azepan-1-yl]methanone is O=C(C1CCCC1)N1CCCCCC1CO.
What is the InChIKey of cyclopentyl-[2-(hydroxymethyl)azepan-1-yl]methanone?
The InChIKey is ZUKDDWBOJKLAAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c15-10-12-8-2-1-5-9-14(12)13(16)11-6-3-4-7-11/h11-12,15H,1-10H2.
What are the key properties of cyclopentyl-[2-(hydroxymethyl)azepan-1-yl]methanone?
cyclopentyl-[2-(hydroxymethyl)azepan-1-yl]methanone has a molecular weight of 225.33 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[2-(hydroxymethyl)azepan-1-yl]methanone is sourced from PubChem (CID 116636172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).