1-(2-methoxyazepan-1-yl)ethanone

C9H17NO2 — CID 14761782

IUPAC1-(2-methoxyazepan-1-yl)ethanone
SMILESCOC1CCCCCN1C(C)=O
InChIInChI=1S/C9H17NO2/c1-8(11)10-7-5-3-4-6-9(10)12-2/h9H,3-7H2,1-2H3
InChIKeyHTDMHZZQCFRDTF-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.38
Rot. Bonds1

About 1-(2-methoxyazepan-1-yl)ethanone

1-(2-methoxyazepan-1-yl)ethanone (PubChem CID 14761782) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 1-(2-methoxyazepan-1-yl)ethanone.

Molecular Properties

Compound Name1-(2-methoxyazepan-1-yl)ethanone
PubChem CID14761782
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name1-(2-methoxyazepan-1-yl)ethanone
SMILESCOC1CCCCCN1C(C)=O
InChIInChI=1S/C9H17NO2/c1-8(11)10-7-5-3-4-6-9(10)12-2/h9H,3-7H2,1-2H3
InChIKeyHTDMHZZQCFRDTF-UHFFFAOYSA-N
XLogP1.38
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(2-methoxyazepan-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 1-(2-methoxyazepan-1-yl)ethanone?
The IUPAC name of 1-(2-methoxyazepan-1-yl)ethanone (CID 14761782) is 1-(2-methoxyazepan-1-yl)ethanone.
What is the SMILES notation for 1-(2-methoxyazepan-1-yl)ethanone?
The canonical SMILES for 1-(2-methoxyazepan-1-yl)ethanone is COC1CCCCCN1C(C)=O.
What is the InChIKey of 1-(2-methoxyazepan-1-yl)ethanone?
The InChIKey is HTDMHZZQCFRDTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-8(11)10-7-5-3-4-6-9(10)12-2/h9H,3-7H2,1-2H3.
What are the key properties of 1-(2-methoxyazepan-1-yl)ethanone?
1-(2-methoxyazepan-1-yl)ethanone has a molecular weight of 171.24 g/mol, XLogP of 1.38, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyazepan-1-yl)ethanone is sourced from PubChem (CID 14761782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).