3-(1-benzylpyrrolidin-3-yl)propanenitrile

C14H18N2 — CID 83909920

IUPAC3-(1-benzylpyrrolidin-3-yl)propanenitrile
SMILESN#CCCC1CCN(Cc2ccccc2)C1
InChIInChI=1S/C14H18N2/c15-9-4-7-14-8-10-16(12-14)11-13-5-2-1-3-6-13/h1-3,5-6,14H,4,7-8,10-12H2
InChIKeyQYAAHXMILNIKHK-UHFFFAOYSA-N
MW214.31 g/mol
LogP2.81
Rot. Bonds4

About 3-(1-benzylpyrrolidin-3-yl)propanenitrile

3-(1-benzylpyrrolidin-3-yl)propanenitrile (PubChem CID 83909920) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 3-(1-benzylpyrrolidin-3-yl)propanenitrile.

Molecular Properties

Compound Name3-(1-benzylpyrrolidin-3-yl)propanenitrile
PubChem CID83909920
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name3-(1-benzylpyrrolidin-3-yl)propanenitrile
SMILESN#CCCC1CCN(Cc2ccccc2)C1
InChIInChI=1S/C14H18N2/c15-9-4-7-14-8-10-16(12-14)11-13-5-2-1-3-6-13/h1-3,5-6,14H,4,7-8,10-12H2
InChIKeyQYAAHXMILNIKHK-UHFFFAOYSA-N
XLogP2.81
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-3-propylpyrrolidine
CID 12648211
4-[[(3R)-1-benzylpyrrolidin-3-yl]methyl-methylamino]butanenitrile
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(3R)-1-benzyl-3-(bromomethyl)pyrrolidine
CID 96555493
1-benzyl-3-ethylpyrrolidine
CID 12648208
5-(1-benzylpyrrolidin-3-yl)pentan-1-amine
CID 123137581
(1-benzylpyrrolidin-3-yl)methanol;hydrochloride
CID 75485238
1-benzyl-3-(pyrrolidin-1-ylmethyl)pyrrolidine
CID 71930473
1-(1-benzylpyrrolidin-3-yl)-N-methylmethanamine
CID 4660832
1-benzyl-3-(2-naphthalen-2-ylethyl)pyrrolidine
CID 71090508
(3R)-1-benzyl-3-(3-chloropropyl)piperidine
CID 97166703
3-[[3-(2-chloroethyl)pyrrolidin-1-yl]methyl]phenol
CID 114800587
1-[(1-benzylpyrrolidin-3-yl)methyl]indole-5-carbonitrile
CID 21201434

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzylpyrrolidin-3-yl)propanenitrile?
The IUPAC name of 3-(1-benzylpyrrolidin-3-yl)propanenitrile (CID 83909920) is 3-(1-benzylpyrrolidin-3-yl)propanenitrile.
What is the SMILES notation for 3-(1-benzylpyrrolidin-3-yl)propanenitrile?
The canonical SMILES for 3-(1-benzylpyrrolidin-3-yl)propanenitrile is N#CCCC1CCN(Cc2ccccc2)C1.
What is the InChIKey of 3-(1-benzylpyrrolidin-3-yl)propanenitrile?
The InChIKey is QYAAHXMILNIKHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c15-9-4-7-14-8-10-16(12-14)11-13-5-2-1-3-6-13/h1-3,5-6,14H,4,7-8,10-12H2.
What are the key properties of 3-(1-benzylpyrrolidin-3-yl)propanenitrile?
3-(1-benzylpyrrolidin-3-yl)propanenitrile has a molecular weight of 214.31 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzylpyrrolidin-3-yl)propanenitrile is sourced from PubChem (CID 83909920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).