(1R,5S)-3-azabicyclo[3.1.0]hexane-1-carbonitrile

C6H8N2 — CID 124583173

IUPAC(1R,5S)-3-azabicyclo[3.1.0]hexane-1-carbonitrile
SMILESN#C[C@@]12CNC[C@H]1C2
InChIInChI=1S/C6H8N2/c7-3-6-1-5(6)2-8-4-6/h5,8H,1-2,4H2/t5-,6+/m1/s1
InChIKeyZMMHJHWUKIEUJA-RITPCOANSA-N
MW108.14 g/mol
LogP0.12
Rot. Bonds

About (1R,5S)-3-azabicyclo[3.1.0]hexane-1-carbonitrile

(1R,5S)-3-azabicyclo[3.1.0]hexane-1-carbonitrile (PubChem CID 124583173) has the molecular formula C6H8N2 and a molecular weight of 108.14 g/mol. Its IUPAC name is (1R,5S)-3-azabicyclo[3.1.0]hexane-1-carbonitrile.

Molecular Properties

Compound Name(1R,5S)-3-azabicyclo[3.1.0]hexane-1-carbonitrile
PubChem CID124583173
Molecular FormulaC6H8N2
Molecular Weight108.14 g/mol
Exact Mass108.07
IUPAC Name(1R,5S)-3-azabicyclo[3.1.0]hexane-1-carbonitrile
SMILESN#C[C@@]12CNC[C@H]1C2
InChIInChI=1S/C6H8N2/c7-3-6-1-5(6)2-8-4-6/h5,8H,1-2,4H2/t5-,6+/m1/s1
InChIKeyZMMHJHWUKIEUJA-RITPCOANSA-N
XLogP0.12
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.14
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-azabicyclo[3.1.0]hexane-1-carbonitrile
CID 23329187
1-prop-1-ynyl-3-azabicyclo[3.1.0]hexane
CID 177211734
(3aS,7aS)-1,2,3,4,5,6,7,7a-octahydroisoindole-3a-carbonitrile
CID 129493545
1-(2-pyrimidin-2-ylethynyl)-3-azabicyclo[3.1.0]hexane
CID 129091758
(1S,3R,5S)-3-hydroxybicyclo[3.1.0]hexane-1-carbonitrile
CID 130905997
1-bromo-3-azabicyclo[3.1.0]hexane
CID 151929909
1,2-dimethyl-3-azabicyclo[3.1.0]hexane-2-carbonitrile
CID 141185737
3-tert-butyl-3-azabicyclo[3.1.0]hexane-1-carbonitrile
CID 134166341
2,3,4,5,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-3a-ol;dihydrochloride
CID 170913208
(1R)-N,N-dimethyl-3-azabicyclo[3.1.0]hexan-1-amine
CID 171036424
1-(difluoromethyl)-3-azabicyclo[3.1.0]hexane
CID 75481813
4,4-dimethylpyrrolidine-3-carbonitrile
CID 121199312

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-3-azabicyclo[3.1.0]hexane-1-carbonitrile?
The IUPAC name of (1R,5S)-3-azabicyclo[3.1.0]hexane-1-carbonitrile (CID 124583173) is (1R,5S)-3-azabicyclo[3.1.0]hexane-1-carbonitrile.
What is the SMILES notation for (1R,5S)-3-azabicyclo[3.1.0]hexane-1-carbonitrile?
The canonical SMILES for (1R,5S)-3-azabicyclo[3.1.0]hexane-1-carbonitrile is N#C[C@@]12CNC[C@H]1C2.
What is the InChIKey of (1R,5S)-3-azabicyclo[3.1.0]hexane-1-carbonitrile?
The InChIKey is ZMMHJHWUKIEUJA-RITPCOANSA-N. The full InChI is InChI=1S/C6H8N2/c7-3-6-1-5(6)2-8-4-6/h5,8H,1-2,4H2/t5-,6+/m1/s1.
What are the key properties of (1R,5S)-3-azabicyclo[3.1.0]hexane-1-carbonitrile?
(1R,5S)-3-azabicyclo[3.1.0]hexane-1-carbonitrile has a molecular weight of 108.14 g/mol, XLogP of 0.12, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-3-azabicyclo[3.1.0]hexane-1-carbonitrile is sourced from PubChem (CID 124583173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).