2-(3-methoxypropoxy)cyclopentane-1-carbonitrile

C10H17NO2 — CID 114995829

IUPAC2-(3-methoxypropoxy)cyclopentane-1-carbonitrile
SMILESCOCCCOC1CCCC1C#N
InChIInChI=1S/C10H17NO2/c1-12-6-3-7-13-10-5-2-4-9(10)8-11/h9-10H,2-7H2,1H3
InChIKeyCISAXXQUOPEJGV-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.73
Rot. Bonds5

About 2-(3-methoxypropoxy)cyclopentane-1-carbonitrile

2-(3-methoxypropoxy)cyclopentane-1-carbonitrile (PubChem CID 114995829) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 2-(3-methoxypropoxy)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name2-(3-methoxypropoxy)cyclopentane-1-carbonitrile
PubChem CID114995829
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name2-(3-methoxypropoxy)cyclopentane-1-carbonitrile
SMILESCOCCCOC1CCCC1C#N
InChIInChI=1S/C10H17NO2/c1-12-6-3-7-13-10-5-2-4-9(10)8-11/h9-10H,2-7H2,1H3
InChIKeyCISAXXQUOPEJGV-UHFFFAOYSA-N
XLogP1.73
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methoxyethoxy)cyclopentane-1-carbonitrile
CID 43292510
2-propoxycyclohexane-1-carbonitrile
CID 43292927
2-(3-methoxypropoxy)cyclododecan-1-amine
CID 54936156
2-(3-methoxypropylsulfinyl)cyclopentane-1-carbonitrile
CID 64692282
2-(3-methoxypropoxy)cyclohexane-1-carboxylic acid
CID 114989139
3-methoxypropoxycyclooctane
CID 68608033
2-(oxan-2-ylmethoxy)cyclopentane-1-carbonitrile
CID 43292537
[(1R,2S)-2-cyanocyclopentyl] propanoate
CID 124660836
2-(2-methoxyethoxy)-4-(2-methylbutan-2-yl)cyclohexane-1-carbonitrile
CID 43292505
cyclopentane-1,2-dicarbonitrile
CID 19807606
2-[(6-methylcyclohex-3-en-1-yl)methoxy]cyclohexane-1-carbonitrile
CID 43292822
4-ethyl-2-pentoxycyclohexane-1-carbonitrile
CID 43292948

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypropoxy)cyclopentane-1-carbonitrile?
The IUPAC name of 2-(3-methoxypropoxy)cyclopentane-1-carbonitrile (CID 114995829) is 2-(3-methoxypropoxy)cyclopentane-1-carbonitrile.
What is the SMILES notation for 2-(3-methoxypropoxy)cyclopentane-1-carbonitrile?
The canonical SMILES for 2-(3-methoxypropoxy)cyclopentane-1-carbonitrile is COCCCOC1CCCC1C#N.
What is the InChIKey of 2-(3-methoxypropoxy)cyclopentane-1-carbonitrile?
The InChIKey is CISAXXQUOPEJGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-12-6-3-7-13-10-5-2-4-9(10)8-11/h9-10H,2-7H2,1H3.
What are the key properties of 2-(3-methoxypropoxy)cyclopentane-1-carbonitrile?
2-(3-methoxypropoxy)cyclopentane-1-carbonitrile has a molecular weight of 183.25 g/mol, XLogP of 1.73, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypropoxy)cyclopentane-1-carbonitrile is sourced from PubChem (CID 114995829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).