2-(4-chlorophenyl)iminocyclopentane-1-carbonitrile

C12H11ClN2 — CID 57296064

IUPAC2-(4-chlorophenyl)iminocyclopentane-1-carbonitrile
SMILESN#CC1CCC/C1=N/c1ccc(Cl)cc1
InChIInChI=1S/C12H11ClN2/c13-10-4-6-11(7-5-10)15-12-3-1-2-9(12)8-14/h4-7,9H,1-3H2/b15-12-
InChIKeyAOKCLESTBPWROC-QINSGFPZSA-N
MW218.69 g/mol
LogP3.74
Rot. Bonds1

About 2-(4-chlorophenyl)iminocyclopentane-1-carbonitrile

2-(4-chlorophenyl)iminocyclopentane-1-carbonitrile (PubChem CID 57296064) has the molecular formula C12H11ClN2 and a molecular weight of 218.69 g/mol. Its IUPAC name is 2-(4-chlorophenyl)iminocyclopentane-1-carbonitrile.

Molecular Properties

Compound Name2-(4-chlorophenyl)iminocyclopentane-1-carbonitrile
PubChem CID57296064
Molecular FormulaC12H11ClN2
Molecular Weight218.69 g/mol
Exact Mass218.06
IUPAC Name2-(4-chlorophenyl)iminocyclopentane-1-carbonitrile
SMILESN#CC1CCC/C1=N/c1ccc(Cl)cc1
InChIInChI=1S/C12H11ClN2/c13-10-4-6-11(7-5-10)15-12-3-1-2-9(12)8-14/h4-7,9H,1-3H2/b15-12-
InChIKeyAOKCLESTBPWROC-QINSGFPZSA-N
XLogP3.74
TPSA36.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.69
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)iminocyclopentane-1-carbonitrile?
The IUPAC name of 2-(4-chlorophenyl)iminocyclopentane-1-carbonitrile (CID 57296064) is 2-(4-chlorophenyl)iminocyclopentane-1-carbonitrile.
What is the SMILES notation for 2-(4-chlorophenyl)iminocyclopentane-1-carbonitrile?
The canonical SMILES for 2-(4-chlorophenyl)iminocyclopentane-1-carbonitrile is N#CC1CCC/C1=N/c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)iminocyclopentane-1-carbonitrile?
The InChIKey is AOKCLESTBPWROC-QINSGFPZSA-N. The full InChI is InChI=1S/C12H11ClN2/c13-10-4-6-11(7-5-10)15-12-3-1-2-9(12)8-14/h4-7,9H,1-3H2/b15-12-.
What are the key properties of 2-(4-chlorophenyl)iminocyclopentane-1-carbonitrile?
2-(4-chlorophenyl)iminocyclopentane-1-carbonitrile has a molecular weight of 218.69 g/mol, XLogP of 3.74, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)iminocyclopentane-1-carbonitrile is sourced from PubChem (CID 57296064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).