1-cyclopropyl-2-[2-(hydroxymethyl)azepan-1-yl]ethanone

C12H21NO2 — CID 116635350

IUPAC1-cyclopropyl-2-[2-(hydroxymethyl)azepan-1-yl]ethanone
SMILESO=C(CN1CCCCCC1CO)C1CC1
InChIInChI=1S/C12H21NO2/c14-9-11-4-2-1-3-7-13(11)8-12(15)10-5-6-10/h10-11,14H,1-9H2
InChIKeyYLDZELJUXKAQCF-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.20
Rot. Bonds4

About 1-cyclopropyl-2-[2-(hydroxymethyl)azepan-1-yl]ethanone

1-cyclopropyl-2-[2-(hydroxymethyl)azepan-1-yl]ethanone (PubChem CID 116635350) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 1-cyclopropyl-2-[2-(hydroxymethyl)azepan-1-yl]ethanone.

Molecular Properties

Compound Name1-cyclopropyl-2-[2-(hydroxymethyl)azepan-1-yl]ethanone
PubChem CID116635350
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name1-cyclopropyl-2-[2-(hydroxymethyl)azepan-1-yl]ethanone
SMILESO=C(CN1CCCCCC1CO)C1CC1
InChIInChI=1S/C12H21NO2/c14-9-11-4-2-1-3-7-13(11)8-12(15)10-5-6-10/h10-11,14H,1-9H2
InChIKeyYLDZELJUXKAQCF-UHFFFAOYSA-N
XLogP1.20
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-cyclopropyl-2-[2-(hydroxymethyl)azepan-1-yl]ethanone 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

2-[2-(hydroxymethyl)azepan-1-yl]-1-(oxolan-3-yl)ethanone
CID 116635401
2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60684574
2-[2-(hydroxymethyl)azepan-1-yl]-N,N-dimethylacetamide
CID 116637269
1-(azepan-1-yl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 62013945
N-carbamoyl-2-[2-(hydroxymethyl)azepan-1-yl]acetamide
CID 116637702
1-cyclopentyl-2-(2-ethylpyrrolidin-1-yl)ethanone
CID 104750099
1-(2-ethylpiperidin-1-yl)-2-[2-(hydroxymethyl)azepan-1-yl]ethanone
CID 116637297
N-cyclohexyl-2-[2-(hydroxymethyl)piperidin-1-yl]-N-methylacetamide
CID 60684649
2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 14799157
[1-[2-(chloromethyl)prop-2-enyl]azepan-2-yl]methanol
CID 103067978
N-cycloheptyl-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 78942509
N-cyclohexyl-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 78942542

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[2-(hydroxymethyl)azepan-1-yl]ethanone?
The IUPAC name of 1-cyclopropyl-2-[2-(hydroxymethyl)azepan-1-yl]ethanone (CID 116635350) is 1-cyclopropyl-2-[2-(hydroxymethyl)azepan-1-yl]ethanone.
What is the SMILES notation for 1-cyclopropyl-2-[2-(hydroxymethyl)azepan-1-yl]ethanone?
The canonical SMILES for 1-cyclopropyl-2-[2-(hydroxymethyl)azepan-1-yl]ethanone is O=C(CN1CCCCCC1CO)C1CC1.
What is the InChIKey of 1-cyclopropyl-2-[2-(hydroxymethyl)azepan-1-yl]ethanone?
The InChIKey is YLDZELJUXKAQCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c14-9-11-4-2-1-3-7-13(11)8-12(15)10-5-6-10/h10-11,14H,1-9H2.
What are the key properties of 1-cyclopropyl-2-[2-(hydroxymethyl)azepan-1-yl]ethanone?
1-cyclopropyl-2-[2-(hydroxymethyl)azepan-1-yl]ethanone has a molecular weight of 211.30 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[2-(hydroxymethyl)azepan-1-yl]ethanone is sourced from PubChem (CID 116635350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).