(1S,2R)-3-azabicyclo[3.1.0]hexane-2-carbonitrile

C6H8N2 — CID 55287656

IUPAC(1S,2R)-3-azabicyclo[3.1.0]hexane-2-carbonitrile
SMILESN#C[C@@H]1NCC2C[C@@H]21
InChIInChI=1S/C6H8N2/c7-2-6-5-1-4(5)3-8-6/h4-6,8H,1,3H2/t4?,5-,6-/m0/s1
InChIKeyJFUYLMCSIHJLOX-VZLNHYCJSA-N
MW108.14 g/mol
LogP0.12
Rot. Bonds

About (1S,2R)-3-azabicyclo[3.1.0]hexane-2-carbonitrile

(1S,2R)-3-azabicyclo[3.1.0]hexane-2-carbonitrile (PubChem CID 55287656) has the molecular formula C6H8N2 and a molecular weight of 108.14 g/mol. Its IUPAC name is (1S,2R)-3-azabicyclo[3.1.0]hexane-2-carbonitrile.

Molecular Properties

Compound Name(1S,2R)-3-azabicyclo[3.1.0]hexane-2-carbonitrile
PubChem CID55287656
Molecular FormulaC6H8N2
Molecular Weight108.14 g/mol
Exact Mass108.07
IUPAC Name(1S,2R)-3-azabicyclo[3.1.0]hexane-2-carbonitrile
SMILESN#C[C@@H]1NCC2C[C@@H]21
InChIInChI=1S/C6H8N2/c7-2-6-5-1-4(5)3-8-6/h4-6,8H,1,3H2/t4?,5-,6-/m0/s1
InChIKeyJFUYLMCSIHJLOX-VZLNHYCJSA-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

(1S,2S,5R)-3-azabicyclo[3.1.0]hexane-2-carbonitrile
CID 98228293
3-azabicyclo[3.1.0]hexane-2-carbonitrile
CID 158971531
1,2,3,3a,4,5,6,6a-octahydropyrrolo[3,4-c]pyrrole-4-carbonitrile
CID 91379562
(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonitrile
CID 55300736
(1R,3aR,7aS)-2,3,3a,4,7,7a-hexahydro-1H-isoindole-1-carbonitrile
CID 55300734
(1R,4S,5R)-2-azabicyclo[2.2.1]heptane-5-carbonitrile
CID 98092349
7-azabicyclo[4.2.0]octane-3-carbonitrile
CID 66606965
[(1R,2R,5S)-3-azabicyclo[3.1.0]hexan-2-yl]methanol
CID 124582700
(1S,2S,5R)-3-azabicyclo[3.1.0]hexane-2-carbaldehyde
CID 89128835
(2R)-3-azabicyclo[3.1.0]hexane-2-carbaldehyde
CID 87354624
[(1S,2R,5S)-3-azabicyclo[3.1.0]hexan-2-yl]methanamine
CID 98119965
[(1S,2R,5R)-3-azabicyclo[3.1.0]hexan-2-yl]methanamine
CID 94840557

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-3-azabicyclo[3.1.0]hexane-2-carbonitrile?
The IUPAC name of (1S,2R)-3-azabicyclo[3.1.0]hexane-2-carbonitrile (CID 55287656) is (1S,2R)-3-azabicyclo[3.1.0]hexane-2-carbonitrile.
What is the SMILES notation for (1S,2R)-3-azabicyclo[3.1.0]hexane-2-carbonitrile?
The canonical SMILES for (1S,2R)-3-azabicyclo[3.1.0]hexane-2-carbonitrile is N#C[C@@H]1NCC2C[C@@H]21.
What is the InChIKey of (1S,2R)-3-azabicyclo[3.1.0]hexane-2-carbonitrile?
The InChIKey is JFUYLMCSIHJLOX-VZLNHYCJSA-N. The full InChI is InChI=1S/C6H8N2/c7-2-6-5-1-4(5)3-8-6/h4-6,8H,1,3H2/t4?,5-,6-/m0/s1.
What are the key properties of (1S,2R)-3-azabicyclo[3.1.0]hexane-2-carbonitrile?
(1S,2R)-3-azabicyclo[3.1.0]hexane-2-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 (1S,2R)-3-azabicyclo[3.1.0]hexane-2-carbonitrile is sourced from PubChem (CID 55287656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).