1-benzylpyrrolidine-2-carbonitrile

C12H14N2 — CID 14970999

IUPAC1-benzylpyrrolidine-2-carbonitrile
SMILESN#CC1CCCN1Cc1ccccc1
InChIInChI=1S/C12H14N2/c13-9-12-7-4-8-14(12)10-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-8,10H2
InChIKeyUWHFYOCFQGYYIH-UHFFFAOYSA-N
MW186.26 g/mol
LogP2.17
Rot. Bonds2

About 1-benzylpyrrolidine-2-carbonitrile

1-benzylpyrrolidine-2-carbonitrile (PubChem CID 14970999) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is 1-benzylpyrrolidine-2-carbonitrile.

Molecular Properties

Compound Name1-benzylpyrrolidine-2-carbonitrile
PubChem CID14970999
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name1-benzylpyrrolidine-2-carbonitrile
SMILESN#CC1CCCN1Cc1ccccc1
InChIInChI=1S/C12H14N2/c13-9-12-7-4-8-14(12)10-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-8,10H2
InChIKeyUWHFYOCFQGYYIH-UHFFFAOYSA-N
XLogP2.17
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzylpyrrolidine-2-carbonitrile?
The IUPAC name of 1-benzylpyrrolidine-2-carbonitrile (CID 14970999) is 1-benzylpyrrolidine-2-carbonitrile.
What is the SMILES notation for 1-benzylpyrrolidine-2-carbonitrile?
The canonical SMILES for 1-benzylpyrrolidine-2-carbonitrile is N#CC1CCCN1Cc1ccccc1.
What is the InChIKey of 1-benzylpyrrolidine-2-carbonitrile?
The InChIKey is UWHFYOCFQGYYIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2/c13-9-12-7-4-8-14(12)10-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-8,10H2.
What are the key properties of 1-benzylpyrrolidine-2-carbonitrile?
1-benzylpyrrolidine-2-carbonitrile has a molecular weight of 186.26 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzylpyrrolidine-2-carbonitrile is sourced from PubChem (CID 14970999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).