2-(azepan-1-yl)-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethanone

C14H26N2O2 — CID 131933426

IUPAC2-(azepan-1-yl)-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethanone
SMILESCOC[C@@H]1CCCN1C(=O)CN1CCCCCC1
InChIInChI=1S/C14H26N2O2/c1-18-12-13-7-6-10-16(13)14(17)11-15-8-4-2-3-5-9-15/h13H,2-12H2,1H3/t13-/m0/s1
InChIKeyQVEOQVVECQBZFM-ZDUSSCGKSA-N
MW254.37 g/mol
LogP1.50
Rot. Bonds4

About 2-(azepan-1-yl)-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethanone

2-(azepan-1-yl)-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethanone (PubChem CID 131933426) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 2-(azepan-1-yl)-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(azepan-1-yl)-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethanone
PubChem CID131933426
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name2-(azepan-1-yl)-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethanone
SMILESCOC[C@@H]1CCCN1C(=O)CN1CCCCCC1
InChIInChI=1S/C14H26N2O2/c1-18-12-13-7-6-10-16(13)14(17)11-15-8-4-2-3-5-9-15/h13H,2-12H2,1H3/t13-/m0/s1
InChIKeyQVEOQVVECQBZFM-ZDUSSCGKSA-N
XLogP1.50
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(azepan-1-yl)-1-[(2S)-2-(methoxymethyl)pyrrolidin-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

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(azepan-1-yl)-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethanone (CID 131933426) is 2-(azepan-1-yl)-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(azepan-1-yl)-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(azepan-1-yl)-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethanone is COC[C@@H]1CCCN1C(=O)CN1CCCCCC1.
What is the InChIKey of 2-(azepan-1-yl)-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethanone?
The InChIKey is QVEOQVVECQBZFM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-18-12-13-7-6-10-16(13)14(17)11-15-8-4-2-3-5-9-15/h13H,2-12H2,1H3/t13-/m0/s1.
What are the key properties of 2-(azepan-1-yl)-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethanone?
2-(azepan-1-yl)-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethanone has a molecular weight of 254.37 g/mol, XLogP of 1.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 131933426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).