(2S)-2-phenyl-2-[(3R)-1-propan-2-ylpyrrolidin-3-yl]acetonitrile

C15H20N2 — CID 125491888

IUPAC(2S)-2-phenyl-2-[(3R)-1-propan-2-ylpyrrolidin-3-yl]acetonitrile
SMILESCC(C)N1CC[C@H]([C@H](C#N)c2ccccc2)C1
InChIInChI=1S/C15H20N2/c1-12(2)17-9-8-14(11-17)15(10-16)13-6-4-3-5-7-13/h3-7,12,14-15H,8-9,11H2,1-2H3/t14-,15+/m0/s1
InChIKeyQLDZOVJOGPYXRX-LSDHHAIUSA-N
MW228.34 g/mol
LogP3.02
Rot. Bonds3

About (2S)-2-phenyl-2-[(3R)-1-propan-2-ylpyrrolidin-3-yl]acetonitrile

(2S)-2-phenyl-2-[(3R)-1-propan-2-ylpyrrolidin-3-yl]acetonitrile (PubChem CID 125491888) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is (2S)-2-phenyl-2-[(3R)-1-propan-2-ylpyrrolidin-3-yl]acetonitrile.

Molecular Properties

Compound Name(2S)-2-phenyl-2-[(3R)-1-propan-2-ylpyrrolidin-3-yl]acetonitrile
PubChem CID125491888
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC Name(2S)-2-phenyl-2-[(3R)-1-propan-2-ylpyrrolidin-3-yl]acetonitrile
SMILESCC(C)N1CC[C@H]([C@H](C#N)c2ccccc2)C1
InChIInChI=1S/C15H20N2/c1-12(2)17-9-8-14(11-17)15(10-16)13-6-4-3-5-7-13/h3-7,12,14-15H,8-9,11H2,1-2H3/t14-,15+/m0/s1
InChIKeyQLDZOVJOGPYXRX-LSDHHAIUSA-N
XLogP3.02
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2S)-2-phenyl-2-[(3R)-1-propan-2-ylpyrrolidin-3-yl]acetonitrile 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 (2S)-2-phenyl-2-[(3R)-1-propan-2-ylpyrrolidin-3-yl]acetonitrile?
The IUPAC name of (2S)-2-phenyl-2-[(3R)-1-propan-2-ylpyrrolidin-3-yl]acetonitrile (CID 125491888) is (2S)-2-phenyl-2-[(3R)-1-propan-2-ylpyrrolidin-3-yl]acetonitrile.
What is the SMILES notation for (2S)-2-phenyl-2-[(3R)-1-propan-2-ylpyrrolidin-3-yl]acetonitrile?
The canonical SMILES for (2S)-2-phenyl-2-[(3R)-1-propan-2-ylpyrrolidin-3-yl]acetonitrile is CC(C)N1CC[C@H]([C@H](C#N)c2ccccc2)C1.
What is the InChIKey of (2S)-2-phenyl-2-[(3R)-1-propan-2-ylpyrrolidin-3-yl]acetonitrile?
The InChIKey is QLDZOVJOGPYXRX-LSDHHAIUSA-N. The full InChI is InChI=1S/C15H20N2/c1-12(2)17-9-8-14(11-17)15(10-16)13-6-4-3-5-7-13/h3-7,12,14-15H,8-9,11H2,1-2H3/t14-,15+/m0/s1.
What are the key properties of (2S)-2-phenyl-2-[(3R)-1-propan-2-ylpyrrolidin-3-yl]acetonitrile?
(2S)-2-phenyl-2-[(3R)-1-propan-2-ylpyrrolidin-3-yl]acetonitrile has a molecular weight of 228.34 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-phenyl-2-[(3R)-1-propan-2-ylpyrrolidin-3-yl]acetonitrile is sourced from PubChem (CID 125491888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).