1-(chloromethyl)-3-ethylcyclopentane-1-carbonitrile

C9H14ClN — CID 130559183

IUPAC1-(chloromethyl)-3-ethylcyclopentane-1-carbonitrile
SMILESCCC1CCC(C#N)(CCl)C1
InChIInChI=1S/C9H14ClN/c1-2-8-3-4-9(5-8,6-10)7-11/h8H,2-6H2,1H3
InChIKeyRILCLBQZKWHTMG-UHFFFAOYSA-N
MW171.67 g/mol
LogP2.95
Rot. Bonds2

About 1-(chloromethyl)-3-ethylcyclopentane-1-carbonitrile

1-(chloromethyl)-3-ethylcyclopentane-1-carbonitrile (PubChem CID 130559183) has the molecular formula C9H14ClN and a molecular weight of 171.67 g/mol. Its IUPAC name is 1-(chloromethyl)-3-ethylcyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-(chloromethyl)-3-ethylcyclopentane-1-carbonitrile
PubChem CID130559183
Molecular FormulaC9H14ClN
Molecular Weight171.67 g/mol
Exact Mass171.08
IUPAC Name1-(chloromethyl)-3-ethylcyclopentane-1-carbonitrile
SMILESCCC1CCC(C#N)(CCl)C1
InChIInChI=1S/C9H14ClN/c1-2-8-3-4-9(5-8,6-10)7-11/h8H,2-6H2,1H3
InChIKeyRILCLBQZKWHTMG-UHFFFAOYSA-N
XLogP2.95
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.67
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[(5-chlorothiophen-2-yl)methyl]-3-ethylcyclopentane-1-carbonitrile
CID 65413094
1-cyclopropyl-3-ethylcyclopentane-1-carbonitrile
CID 130514258
4-ethyl-1-heptylcyclohexane-1-carbonitrile
CID 65395560
1-[(3-bromo-5-fluorophenyl)methyl]-3-ethylcyclopentane-1-carbonitrile
CID 79711393
1-ethyl-4-propylcyclohexane-1-carbonitrile
CID 65425800
1-[(2-bromo-4-fluorophenyl)methyl]-3-ethylcyclopentane-1-carbonitrile
CID 65415116
1-[(4-chloro-2-nitrophenyl)methyl]-3-ethylcyclopentane-1-carbonitrile
CID 65413296
1-(cyclopropylamino)-3-ethylcyclopentane-1-carbonitrile
CID 64513094
3-ethyl-1-(oxolan-2-ylmethyl)cyclohexane-1-carbonitrile
CID 65401037
1-[2-(3-bromophenoxy)ethyl]-3-ethylcyclopentane-1-carbonitrile
CID 65414927
3-ethyl-1-[(4-iodophenyl)methyl]cyclohexane-1-carbonitrile
CID 65491972
1-[(2,5-dichlorophenyl)methyl]-4-ethylcyclohexane-1-carbonitrile
CID 65393899

Frequently Asked Questions

What is the IUPAC name of 1-(chloromethyl)-3-ethylcyclopentane-1-carbonitrile?
The IUPAC name of 1-(chloromethyl)-3-ethylcyclopentane-1-carbonitrile (CID 130559183) is 1-(chloromethyl)-3-ethylcyclopentane-1-carbonitrile.
What is the SMILES notation for 1-(chloromethyl)-3-ethylcyclopentane-1-carbonitrile?
The canonical SMILES for 1-(chloromethyl)-3-ethylcyclopentane-1-carbonitrile is CCC1CCC(C#N)(CCl)C1.
What is the InChIKey of 1-(chloromethyl)-3-ethylcyclopentane-1-carbonitrile?
The InChIKey is RILCLBQZKWHTMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN/c1-2-8-3-4-9(5-8,6-10)7-11/h8H,2-6H2,1H3.
What are the key properties of 1-(chloromethyl)-3-ethylcyclopentane-1-carbonitrile?
1-(chloromethyl)-3-ethylcyclopentane-1-carbonitrile has a molecular weight of 171.67 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)-3-ethylcyclopentane-1-carbonitrile is sourced from PubChem (CID 130559183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).