2-[(1S,6R)-2-azabicyclo[4.1.0]heptan-2-yl]acetonitrile

C8H12N2 — CID 131084599

IUPAC2-[(1S,6R)-2-azabicyclo[4.1.0]heptan-2-yl]acetonitrile
SMILESN#CCN1CCC[C@@H]2C[C@@H]21
InChIInChI=1S/C8H12N2/c9-3-5-10-4-1-2-7-6-8(7)10/h7-8H,1-2,4-6H2/t7-,8+/m1/s1
InChIKeyFTKZUOSJWAYTRZ-SFYZADRCSA-N
MW136.20 g/mol
LogP0.99
Rot. Bonds1

About 2-[(1S,6R)-2-azabicyclo[4.1.0]heptan-2-yl]acetonitrile

2-[(1S,6R)-2-azabicyclo[4.1.0]heptan-2-yl]acetonitrile (PubChem CID 131084599) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 2-[(1S,6R)-2-azabicyclo[4.1.0]heptan-2-yl]acetonitrile.

Molecular Properties

Compound Name2-[(1S,6R)-2-azabicyclo[4.1.0]heptan-2-yl]acetonitrile
PubChem CID131084599
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name2-[(1S,6R)-2-azabicyclo[4.1.0]heptan-2-yl]acetonitrile
SMILESN#CCN1CCC[C@@H]2C[C@@H]21
InChIInChI=1S/C8H12N2/c9-3-5-10-4-1-2-7-6-8(7)10/h7-8H,1-2,4-6H2/t7-,8+/m1/s1
InChIKeyFTKZUOSJWAYTRZ-SFYZADRCSA-N
XLogP0.99
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

(1S,6R)-2-prop-2-ynyl-2-azabicyclo[4.1.0]heptane
CID 130991319
2-[(2S)-2-methylpyrrolidin-1-yl]acetonitrile
CID 167444158
(1S,6R)-2-propyl-2-azabicyclo[4.1.0]heptane
CID 130645060
2-[(4aR,7aS)-5-oxo-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-1-yl]acetonitrile
CID 130840662
2-[2-(2-hydroxycyclohexyl)piperidin-1-yl]acetonitrile
CID 114339805
(1S,6R)-2-(2-bromoprop-2-enyl)-2-azabicyclo[4.1.0]heptane
CID 131207018
2-(3,3,3-trifluoropropyl)-2-azabicyclo[4.1.0]heptane
CID 130608809
3-(2-azabicyclo[4.1.0]heptan-2-ylmethyl)benzonitrile
CID 117045351
2-[2-(2,2-dimethylpropyl)pyrrolidin-1-yl]acetonitrile
CID 126988793
(4aR,8aR)-1-prop-2-ynyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 102727779
1-[2-[(1S,6R)-2-azabicyclo[4.1.0]heptan-2-yl]ethyl]cyclopropan-1-ol
CID 131177109
3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-aminopropanenitrile
CID 102727908

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,6R)-2-azabicyclo[4.1.0]heptan-2-yl]acetonitrile?
The IUPAC name of 2-[(1S,6R)-2-azabicyclo[4.1.0]heptan-2-yl]acetonitrile (CID 131084599) is 2-[(1S,6R)-2-azabicyclo[4.1.0]heptan-2-yl]acetonitrile.
What is the SMILES notation for 2-[(1S,6R)-2-azabicyclo[4.1.0]heptan-2-yl]acetonitrile?
The canonical SMILES for 2-[(1S,6R)-2-azabicyclo[4.1.0]heptan-2-yl]acetonitrile is N#CCN1CCC[C@@H]2C[C@@H]21.
What is the InChIKey of 2-[(1S,6R)-2-azabicyclo[4.1.0]heptan-2-yl]acetonitrile?
The InChIKey is FTKZUOSJWAYTRZ-SFYZADRCSA-N. The full InChI is InChI=1S/C8H12N2/c9-3-5-10-4-1-2-7-6-8(7)10/h7-8H,1-2,4-6H2/t7-,8+/m1/s1.
What are the key properties of 2-[(1S,6R)-2-azabicyclo[4.1.0]heptan-2-yl]acetonitrile?
2-[(1S,6R)-2-azabicyclo[4.1.0]heptan-2-yl]acetonitrile has a molecular weight of 136.20 g/mol, XLogP of 0.99, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,6R)-2-azabicyclo[4.1.0]heptan-2-yl]acetonitrile is sourced from PubChem (CID 131084599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).