1,2-dimethyl-3-azabicyclo[3.1.0]hexane-2-carbonitrile

C8H12N2 — CID 141185737

IUPAC1,2-dimethyl-3-azabicyclo[3.1.0]hexane-2-carbonitrile
SMILESCC1(C#N)NCC2CC21C
InChIInChI=1S/C8H12N2/c1-7-3-6(7)4-10-8(7,2)5-9/h6,10H,3-4H2,1-2H3
InChIKeyUNBBUDFUDGOBEV-UHFFFAOYSA-N
MW136.20 g/mol
LogP0.90
Rot. Bonds

About 1,2-dimethyl-3-azabicyclo[3.1.0]hexane-2-carbonitrile

1,2-dimethyl-3-azabicyclo[3.1.0]hexane-2-carbonitrile (PubChem CID 141185737) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 1,2-dimethyl-3-azabicyclo[3.1.0]hexane-2-carbonitrile.

Molecular Properties

Compound Name1,2-dimethyl-3-azabicyclo[3.1.0]hexane-2-carbonitrile
PubChem CID141185737
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name1,2-dimethyl-3-azabicyclo[3.1.0]hexane-2-carbonitrile
SMILESCC1(C#N)NCC2CC21C
InChIInChI=1S/C8H12N2/c1-7-3-6(7)4-10-8(7,2)5-9/h6,10H,3-4H2,1-2H3
InChIKeyUNBBUDFUDGOBEV-UHFFFAOYSA-N
XLogP0.90
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1,2-dimethyl-3-azabicyclo[3.1.0]hexane-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-1-methylsulfanylcyclobutane-1-carbonitrile
CID 15723332
3-azabicyclo[3.1.0]hexane-1-carbonitrile
CID 23329187
(1R,5S)-3-azabicyclo[3.1.0]hexane-1-carbonitrile
CID 124583173
2-benzyl-2-methyl-3-azabicyclo[3.1.0]hexane-1-carbonitrile
CID 67943347
cis-(3S,5R)-1,3,5-trimethylcyclohexane-1-carbonitrile
CID 59970295
3-hydroxy-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carbonitrile
CID 18801984
3-methyl-1-(2-methylpropylsulfanyl)cyclobutane-1-carbonitrile
CID 65138446
3-amino-1-methylcyclobutane-1-carbonitrile;hydrochloride
CID 139562380
1,2-dimethylbicyclo[3.1.0]hexan-2-amine
CID 152586556
1,2-dimethyladamantane-2-carbonitrile
CID 59962108
2-(4-methylcyclohexyl)pyrrolidine-2-carbonitrile
CID 130542530
6-methyltricyclo[4.3.1.13,8]undecane-3-carbonitrile
CID 91294602

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-3-azabicyclo[3.1.0]hexane-2-carbonitrile?
The IUPAC name of 1,2-dimethyl-3-azabicyclo[3.1.0]hexane-2-carbonitrile (CID 141185737) is 1,2-dimethyl-3-azabicyclo[3.1.0]hexane-2-carbonitrile.
What is the SMILES notation for 1,2-dimethyl-3-azabicyclo[3.1.0]hexane-2-carbonitrile?
The canonical SMILES for 1,2-dimethyl-3-azabicyclo[3.1.0]hexane-2-carbonitrile is CC1(C#N)NCC2CC21C.
What is the InChIKey of 1,2-dimethyl-3-azabicyclo[3.1.0]hexane-2-carbonitrile?
The InChIKey is UNBBUDFUDGOBEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c1-7-3-6(7)4-10-8(7,2)5-9/h6,10H,3-4H2,1-2H3.
What are the key properties of 1,2-dimethyl-3-azabicyclo[3.1.0]hexane-2-carbonitrile?
1,2-dimethyl-3-azabicyclo[3.1.0]hexane-2-carbonitrile has a molecular weight of 136.20 g/mol, XLogP of 0.90, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-3-azabicyclo[3.1.0]hexane-2-carbonitrile is sourced from PubChem (CID 141185737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).