(3R,5S)-5-phenylpyrrolidine-3-carbonitrile

C11H12N2 — CID 169170901

IUPAC(3R,5S)-5-phenylpyrrolidine-3-carbonitrile
SMILESN#C[C@H]1CN[C@H](c2ccccc2)C1
InChIInChI=1S/C11H12N2/c12-7-9-6-11(13-8-9)10-4-2-1-3-5-10/h1-5,9,11,13H,6,8H2/t9-,11-/m0/s1
InChIKeyVNORGTNWCLUAHN-ONGXEEELSA-N
MW172.23 g/mol
LogP1.86
Rot. Bonds1

About (3R,5S)-5-phenylpyrrolidine-3-carbonitrile

(3R,5S)-5-phenylpyrrolidine-3-carbonitrile (PubChem CID 169170901) has the molecular formula C11H12N2 and a molecular weight of 172.23 g/mol. Its IUPAC name is (3R,5S)-5-phenylpyrrolidine-3-carbonitrile.

Molecular Properties

Compound Name(3R,5S)-5-phenylpyrrolidine-3-carbonitrile
PubChem CID169170901
Molecular FormulaC11H12N2
Molecular Weight172.23 g/mol
Exact Mass172.10
IUPAC Name(3R,5S)-5-phenylpyrrolidine-3-carbonitrile
SMILESN#C[C@H]1CN[C@H](c2ccccc2)C1
InChIInChI=1S/C11H12N2/c12-7-9-6-11(13-8-9)10-4-2-1-3-5-10/h1-5,9,11,13H,6,8H2/t9-,11-/m0/s1
InChIKeyVNORGTNWCLUAHN-ONGXEEELSA-N
XLogP1.86
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3R,5S)-5-phenylpyrrolidine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-5-phenylpyrrolidine-3-carbonitrile?
The IUPAC name of (3R,5S)-5-phenylpyrrolidine-3-carbonitrile (CID 169170901) is (3R,5S)-5-phenylpyrrolidine-3-carbonitrile.
What is the SMILES notation for (3R,5S)-5-phenylpyrrolidine-3-carbonitrile?
The canonical SMILES for (3R,5S)-5-phenylpyrrolidine-3-carbonitrile is N#C[C@H]1CN[C@H](c2ccccc2)C1.
What is the InChIKey of (3R,5S)-5-phenylpyrrolidine-3-carbonitrile?
The InChIKey is VNORGTNWCLUAHN-ONGXEEELSA-N. The full InChI is InChI=1S/C11H12N2/c12-7-9-6-11(13-8-9)10-4-2-1-3-5-10/h1-5,9,11,13H,6,8H2/t9-,11-/m0/s1.
What are the key properties of (3R,5S)-5-phenylpyrrolidine-3-carbonitrile?
(3R,5S)-5-phenylpyrrolidine-3-carbonitrile has a molecular weight of 172.23 g/mol, XLogP of 1.86, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-5-phenylpyrrolidine-3-carbonitrile is sourced from PubChem (CID 169170901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).