2-[(2R)-1-benzylpyrrolidin-2-yl]acetonitrile

C13H16N2 — CID 124565775

IUPAC2-[(2R)-1-benzylpyrrolidin-2-yl]acetonitrile
SMILESN#CC[C@H]1CCCN1Cc1ccccc1
InChIInChI=1S/C13H16N2/c14-9-8-13-7-4-10-15(13)11-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-8,10-11H2/t13-/m1/s1
InChIKeyFSNSUSQYNLCLRF-CYBMUJFWSA-N
MW200.29 g/mol
LogP2.56
Rot. Bonds3

About 2-[(2R)-1-benzylpyrrolidin-2-yl]acetonitrile

2-[(2R)-1-benzylpyrrolidin-2-yl]acetonitrile (PubChem CID 124565775) has the molecular formula C13H16N2 and a molecular weight of 200.29 g/mol. Its IUPAC name is 2-[(2R)-1-benzylpyrrolidin-2-yl]acetonitrile.

Molecular Properties

Compound Name2-[(2R)-1-benzylpyrrolidin-2-yl]acetonitrile
PubChem CID124565775
Molecular FormulaC13H16N2
Molecular Weight200.29 g/mol
Exact Mass200.13
IUPAC Name2-[(2R)-1-benzylpyrrolidin-2-yl]acetonitrile
SMILESN#CC[C@H]1CCCN1Cc1ccccc1
InChIInChI=1S/C13H16N2/c14-9-8-13-7-4-10-15(13)11-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-8,10-11H2/t13-/m1/s1
InChIKeyFSNSUSQYNLCLRF-CYBMUJFWSA-N
XLogP2.56
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.29
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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2-[(3R)-4-benzylmorpholin-3-yl]acetonitrile
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[(2S)-1-benzylpyrrolidin-2-yl]methanamine;hydrochloride
CID 22856183
2-(1-benzylpyrrolidin-2-yl)ethanol;ethane
CID 142002278
1-benzyl-2-(2-chloroethyl)piperidine
CID 18473722
(2R)-1-benzyl-2-(bromomethyl)piperidine;hydrochloride
CID 67264853
6-[(1-benzylpyrrolidin-2-yl)methylamino]pyridine-2-carbonitrile
CID 133304440
N-[[(2R)-1-benzylpyrrolidin-2-yl]methyl]ethanamine
CID 94499350
1-benzyl-2-(nitromethyl)pyrrolidine
CID 25198322
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CID 97161904
(2S)-1-benzyl-2-propylpiperidine
CID 71407726

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-benzylpyrrolidin-2-yl]acetonitrile?
The IUPAC name of 2-[(2R)-1-benzylpyrrolidin-2-yl]acetonitrile (CID 124565775) is 2-[(2R)-1-benzylpyrrolidin-2-yl]acetonitrile.
What is the SMILES notation for 2-[(2R)-1-benzylpyrrolidin-2-yl]acetonitrile?
The canonical SMILES for 2-[(2R)-1-benzylpyrrolidin-2-yl]acetonitrile is N#CC[C@H]1CCCN1Cc1ccccc1.
What is the InChIKey of 2-[(2R)-1-benzylpyrrolidin-2-yl]acetonitrile?
The InChIKey is FSNSUSQYNLCLRF-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H16N2/c14-9-8-13-7-4-10-15(13)11-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-8,10-11H2/t13-/m1/s1.
What are the key properties of 2-[(2R)-1-benzylpyrrolidin-2-yl]acetonitrile?
2-[(2R)-1-benzylpyrrolidin-2-yl]acetonitrile has a molecular weight of 200.29 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-benzylpyrrolidin-2-yl]acetonitrile is sourced from PubChem (CID 124565775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).