3-(3-azabicyclo[3.1.0]hexan-3-yl)propanenitrile

C8H12N2 — CID 131025871

IUPAC3-(3-azabicyclo[3.1.0]hexan-3-yl)propanenitrile
SMILESN#CCCN1CC2CC2C1
InChIInChI=1S/C8H12N2/c9-2-1-3-10-5-7-4-8(7)6-10/h7-8H,1,3-6H2
InChIKeyIITXPKJWGHQNDN-UHFFFAOYSA-N
MW136.20 g/mol
LogP0.85
Rot. Bonds2

About 3-(3-azabicyclo[3.1.0]hexan-3-yl)propanenitrile

3-(3-azabicyclo[3.1.0]hexan-3-yl)propanenitrile (PubChem CID 131025871) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 3-(3-azabicyclo[3.1.0]hexan-3-yl)propanenitrile.

Molecular Properties

Compound Name3-(3-azabicyclo[3.1.0]hexan-3-yl)propanenitrile
PubChem CID131025871
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name3-(3-azabicyclo[3.1.0]hexan-3-yl)propanenitrile
SMILESN#CCCN1CC2CC2C1
InChIInChI=1S/C8H12N2/c9-2-1-3-10-5-7-4-8(7)6-10/h7-8H,1,3-6H2
InChIKeyIITXPKJWGHQNDN-UHFFFAOYSA-N
XLogP0.85
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(Cyclopropylmethyl)-4-pyrrolidin-1-ylpiperidine-4-carbonitrile
CID 97256793
2-(6,6-Difluoro-3-azabicyclo[3.1.0]hexan-3-yl)acetonitrile
CID 162719044
2-[3-[(Piperidin-1-yl)methyl]-pyrrolidin-1-yl]acetonitrile
CID 19846035
2-(3-Azabicyclo[3.1.0]hex-3-yl)-2-methylpropanenitrile
CID 59347847
2-Ethyl-2-azabicyclo[3.1.0]hexane-3-carbonitrile
CID 68021408
3-Azabicyclo[3.1.0]hexane-3-carbonitrile
CID 121248086
3-Propyl-3-azabicyclo[3.1.0]hexane
CID 129146212
2-(3-Methyl-3-azabicyclo[3.1.0]hexan-6-yl)acetonitrile
CID 129303146
2-Azabicyclo[3.1.0]hexane-2-carbonitrile
CID 130382942
(1R,5S)-3-azabicyclo[3.1.0]hexane-3,6-dicarbonitrile
CID 141220259
(1S,5R)-3-iodo-3-azabicyclo[3.1.0]hexane-6-carbonitrile
CID 147711691
(1S,5R)-3-methyl-3-azabicyclo[3.1.0]hexane-6-carbonitrile
CID 157085266

Frequently Asked Questions

What is the IUPAC name of 3-(3-azabicyclo[3.1.0]hexan-3-yl)propanenitrile?
The IUPAC name of 3-(3-azabicyclo[3.1.0]hexan-3-yl)propanenitrile (CID 131025871) is 3-(3-azabicyclo[3.1.0]hexan-3-yl)propanenitrile.
What is the SMILES notation for 3-(3-azabicyclo[3.1.0]hexan-3-yl)propanenitrile?
The canonical SMILES for 3-(3-azabicyclo[3.1.0]hexan-3-yl)propanenitrile is N#CCCN1CC2CC2C1.
What is the InChIKey of 3-(3-azabicyclo[3.1.0]hexan-3-yl)propanenitrile?
The InChIKey is IITXPKJWGHQNDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c9-2-1-3-10-5-7-4-8(7)6-10/h7-8H,1,3-6H2.
What are the key properties of 3-(3-azabicyclo[3.1.0]hexan-3-yl)propanenitrile?
3-(3-azabicyclo[3.1.0]hexan-3-yl)propanenitrile has a molecular weight of 136.20 g/mol, XLogP of 0.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-azabicyclo[3.1.0]hexan-3-yl)propanenitrile is sourced from PubChem (CID 131025871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).