2-benzyl-2-methyl-3-azabicyclo[3.1.0]hexane-1-carbonitrile

C14H16N2 — CID 67943347

IUPAC2-benzyl-2-methyl-3-azabicyclo[3.1.0]hexane-1-carbonitrile
SMILESCC1(Cc2ccccc2)NCC2CC21C#N
InChIInChI=1S/C14H16N2/c1-13(7-11-5-3-2-4-6-11)14(10-15)8-12(14)9-16-13/h2-6,12,16H,7-9H2,1H3
InChIKeyLUENERLJJUYXAU-UHFFFAOYSA-N
MW212.30 g/mol
LogP2.12
Rot. Bonds2

About 2-benzyl-2-methyl-3-azabicyclo[3.1.0]hexane-1-carbonitrile

2-benzyl-2-methyl-3-azabicyclo[3.1.0]hexane-1-carbonitrile (PubChem CID 67943347) has the molecular formula C14H16N2 and a molecular weight of 212.30 g/mol. Its IUPAC name is 2-benzyl-2-methyl-3-azabicyclo[3.1.0]hexane-1-carbonitrile.

Molecular Properties

Compound Name2-benzyl-2-methyl-3-azabicyclo[3.1.0]hexane-1-carbonitrile
PubChem CID67943347
Molecular FormulaC14H16N2
Molecular Weight212.30 g/mol
Exact Mass212.13
IUPAC Name2-benzyl-2-methyl-3-azabicyclo[3.1.0]hexane-1-carbonitrile
SMILESCC1(Cc2ccccc2)NCC2CC21C#N
InChIInChI=1S/C14H16N2/c1-13(7-11-5-3-2-4-6-11)14(10-15)8-12(14)9-16-13/h2-6,12,16H,7-9H2,1H3
InChIKeyLUENERLJJUYXAU-UHFFFAOYSA-N
XLogP2.12
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-2-methyl-3-azabicyclo[3.1.0]hexane-1-carbonitrile?
The IUPAC name of 2-benzyl-2-methyl-3-azabicyclo[3.1.0]hexane-1-carbonitrile (CID 67943347) is 2-benzyl-2-methyl-3-azabicyclo[3.1.0]hexane-1-carbonitrile.
What is the SMILES notation for 2-benzyl-2-methyl-3-azabicyclo[3.1.0]hexane-1-carbonitrile?
The canonical SMILES for 2-benzyl-2-methyl-3-azabicyclo[3.1.0]hexane-1-carbonitrile is CC1(Cc2ccccc2)NCC2CC21C#N.
What is the InChIKey of 2-benzyl-2-methyl-3-azabicyclo[3.1.0]hexane-1-carbonitrile?
The InChIKey is LUENERLJJUYXAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2/c1-13(7-11-5-3-2-4-6-11)14(10-15)8-12(14)9-16-13/h2-6,12,16H,7-9H2,1H3.
What are the key properties of 2-benzyl-2-methyl-3-azabicyclo[3.1.0]hexane-1-carbonitrile?
2-benzyl-2-methyl-3-azabicyclo[3.1.0]hexane-1-carbonitrile has a molecular weight of 212.30 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-2-methyl-3-azabicyclo[3.1.0]hexane-1-carbonitrile is sourced from PubChem (CID 67943347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).