1-(4-chlorophenyl)pyrrolidine-3-carbonitrile

C11H11ClN2 — CID 67357061

IUPAC1-(4-chlorophenyl)pyrrolidine-3-carbonitrile
SMILESN#CC1CCN(c2ccc(Cl)cc2)C1
InChIInChI=1S/C11H11ClN2/c12-10-1-3-11(4-2-10)14-6-5-9(7-13)8-14/h1-4,9H,5-6,8H2
InChIKeyFMXIEYKOTRQTIH-UHFFFAOYSA-N
MW206.68 g/mol
LogP2.69
Rot. Bonds1

About 1-(4-chlorophenyl)pyrrolidine-3-carbonitrile

1-(4-chlorophenyl)pyrrolidine-3-carbonitrile (PubChem CID 67357061) has the molecular formula C11H11ClN2 and a molecular weight of 206.68 g/mol. Its IUPAC name is 1-(4-chlorophenyl)pyrrolidine-3-carbonitrile.

Molecular Properties

Compound Name1-(4-chlorophenyl)pyrrolidine-3-carbonitrile
PubChem CID67357061
Molecular FormulaC11H11ClN2
Molecular Weight206.68 g/mol
Exact Mass206.06
IUPAC Name1-(4-chlorophenyl)pyrrolidine-3-carbonitrile
SMILESN#CC1CCN(c2ccc(Cl)cc2)C1
InChIInChI=1S/C11H11ClN2/c12-10-1-3-11(4-2-10)14-6-5-9(7-13)8-14/h1-4,9H,5-6,8H2
InChIKeyFMXIEYKOTRQTIH-UHFFFAOYSA-N
XLogP2.69
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.68
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)pyrrolidine-3-carbonitrile?
The IUPAC name of 1-(4-chlorophenyl)pyrrolidine-3-carbonitrile (CID 67357061) is 1-(4-chlorophenyl)pyrrolidine-3-carbonitrile.
What is the SMILES notation for 1-(4-chlorophenyl)pyrrolidine-3-carbonitrile?
The canonical SMILES for 1-(4-chlorophenyl)pyrrolidine-3-carbonitrile is N#CC1CCN(c2ccc(Cl)cc2)C1.
What is the InChIKey of 1-(4-chlorophenyl)pyrrolidine-3-carbonitrile?
The InChIKey is FMXIEYKOTRQTIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2/c12-10-1-3-11(4-2-10)14-6-5-9(7-13)8-14/h1-4,9H,5-6,8H2.
What are the key properties of 1-(4-chlorophenyl)pyrrolidine-3-carbonitrile?
1-(4-chlorophenyl)pyrrolidine-3-carbonitrile has a molecular weight of 206.68 g/mol, XLogP of 2.69, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)pyrrolidine-3-carbonitrile is sourced from PubChem (CID 67357061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).