2-(2-methoxyethoxy)cyclopentane-1-carbonitrile

C9H15NO2 — CID 43292510

IUPAC2-(2-methoxyethoxy)cyclopentane-1-carbonitrile
SMILESCOCCOC1CCCC1C#N
InChIInChI=1S/C9H15NO2/c1-11-5-6-12-9-4-2-3-8(9)7-10/h8-9H,2-6H2,1H3
InChIKeyZBQPREYVLXPBQW-UHFFFAOYSA-N
MW169.22 g/mol
LogP1.34
Rot. Bonds4

About 2-(2-methoxyethoxy)cyclopentane-1-carbonitrile

2-(2-methoxyethoxy)cyclopentane-1-carbonitrile (PubChem CID 43292510) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name2-(2-methoxyethoxy)cyclopentane-1-carbonitrile
PubChem CID43292510
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name2-(2-methoxyethoxy)cyclopentane-1-carbonitrile
SMILESCOCCOC1CCCC1C#N
InChIInChI=1S/C9H15NO2/c1-11-5-6-12-9-4-2-3-8(9)7-10/h8-9H,2-6H2,1H3
InChIKeyZBQPREYVLXPBQW-UHFFFAOYSA-N
XLogP1.34
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(2-methoxyethoxy)cyclopentane-1-carbonitrile 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-(3-methoxypropoxy)cyclopentane-1-carbonitrile
CID 114995829
2-propoxycyclohexane-1-carbonitrile
CID 43292927
2-(2-methoxyethoxy)cyclopentan-1-amine
CID 43184183
2-(2-methoxyethoxy)-4-(2-methylbutan-2-yl)cyclohexane-1-carbonitrile
CID 43292505
[(1R,2S)-2-cyanocyclopentyl] propanoate
CID 124660836
1-iodo-2-[2-(2-methoxyethoxy)ethoxy]cyclopentane
CID 114775120
cis-(1R,2S)-1-ethynyl-2-(2-methoxyethoxymethoxy)cyclohexane
CID 134895911
2-(oxan-2-ylmethoxy)cyclopentane-1-carbonitrile
CID 43292537
cyclopentane-1,2-dicarbonitrile
CID 19807606
2-[(6-methylcyclohex-3-en-1-yl)methoxy]cyclohexane-1-carbonitrile
CID 43292822
2-(3-methoxypropylsulfinyl)cyclopentane-1-carbonitrile
CID 64692282
2-(oxan-4-ylmethoxy)cycloheptane-1-carbonitrile
CID 115001962

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxy)cyclopentane-1-carbonitrile?
The IUPAC name of 2-(2-methoxyethoxy)cyclopentane-1-carbonitrile (CID 43292510) is 2-(2-methoxyethoxy)cyclopentane-1-carbonitrile.
What is the SMILES notation for 2-(2-methoxyethoxy)cyclopentane-1-carbonitrile?
The canonical SMILES for 2-(2-methoxyethoxy)cyclopentane-1-carbonitrile is COCCOC1CCCC1C#N.
What is the InChIKey of 2-(2-methoxyethoxy)cyclopentane-1-carbonitrile?
The InChIKey is ZBQPREYVLXPBQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-11-5-6-12-9-4-2-3-8(9)7-10/h8-9H,2-6H2,1H3.
What are the key properties of 2-(2-methoxyethoxy)cyclopentane-1-carbonitrile?
2-(2-methoxyethoxy)cyclopentane-1-carbonitrile has a molecular weight of 169.22 g/mol, XLogP of 1.34, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxy)cyclopentane-1-carbonitrile is sourced from PubChem (CID 43292510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).