1-(4-cyanophenyl)pyrrolidine-2-carboxylic acid

C12H12N2O2 — CID 43188313

IUPAC1-(4-cyanophenyl)pyrrolidine-2-carboxylic acid
SMILESN#Cc1ccc(N2CCCC2C(=O)O)cc1
InChIInChI=1S/C12H12N2O2/c13-8-9-3-5-10(6-4-9)14-7-1-2-11(14)12(15)16/h3-6,11H,1-2,7H2,(H,15,16)
InChIKeyQXPDICRRGHNHKO-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.61
Rot. Bonds2

About 1-(4-cyanophenyl)pyrrolidine-2-carboxylic acid

1-(4-cyanophenyl)pyrrolidine-2-carboxylic acid (PubChem CID 43188313) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 1-(4-cyanophenyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(4-cyanophenyl)pyrrolidine-2-carboxylic acid
PubChem CID43188313
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name1-(4-cyanophenyl)pyrrolidine-2-carboxylic acid
SMILESN#Cc1ccc(N2CCCC2C(=O)O)cc1
InChIInChI=1S/C12H12N2O2/c13-8-9-3-5-10(6-4-9)14-7-1-2-11(14)12(15)16/h3-6,11H,1-2,7H2,(H,15,16)
InChIKeyQXPDICRRGHNHKO-UHFFFAOYSA-N
XLogP1.61
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-cyanophenyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(4-cyanophenyl)pyrrolidine-2-carboxylic acid (CID 43188313) is 1-(4-cyanophenyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(4-cyanophenyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(4-cyanophenyl)pyrrolidine-2-carboxylic acid is N#Cc1ccc(N2CCCC2C(=O)O)cc1.
What is the InChIKey of 1-(4-cyanophenyl)pyrrolidine-2-carboxylic acid?
The InChIKey is QXPDICRRGHNHKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c13-8-9-3-5-10(6-4-9)14-7-1-2-11(14)12(15)16/h3-6,11H,1-2,7H2,(H,15,16).
What are the key properties of 1-(4-cyanophenyl)pyrrolidine-2-carboxylic acid?
1-(4-cyanophenyl)pyrrolidine-2-carboxylic acid has a molecular weight of 216.24 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyanophenyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 43188313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).