7-azabicyclo[4.2.0]octane-3-carbonitrile

C8H12N2 — CID 66606965

IUPAC7-azabicyclo[4.2.0]octane-3-carbonitrile
SMILESN#CC1CCC2NCC2C1
InChIInChI=1S/C8H12N2/c9-4-6-1-2-8-7(3-6)5-10-8/h6-8,10H,1-3,5H2
InChIKeyHYVUYEVITXBUBZ-UHFFFAOYSA-N
MW136.20 g/mol
LogP0.90
Rot. Bonds

About 7-azabicyclo[4.2.0]octane-3-carbonitrile

7-azabicyclo[4.2.0]octane-3-carbonitrile (PubChem CID 66606965) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 7-azabicyclo[4.2.0]octane-3-carbonitrile.

Molecular Properties

Compound Name7-azabicyclo[4.2.0]octane-3-carbonitrile
PubChem CID66606965
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name7-azabicyclo[4.2.0]octane-3-carbonitrile
SMILESN#CC1CCC2NCC2C1
InChIInChI=1S/C8H12N2/c9-4-6-1-2-8-7(3-6)5-10-8/h6-8,10H,1-3,5H2
InChIKeyHYVUYEVITXBUBZ-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

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Frequently Asked Questions

What is the IUPAC name of 7-azabicyclo[4.2.0]octane-3-carbonitrile?
The IUPAC name of 7-azabicyclo[4.2.0]octane-3-carbonitrile (CID 66606965) is 7-azabicyclo[4.2.0]octane-3-carbonitrile.
What is the SMILES notation for 7-azabicyclo[4.2.0]octane-3-carbonitrile?
The canonical SMILES for 7-azabicyclo[4.2.0]octane-3-carbonitrile is N#CC1CCC2NCC2C1.
What is the InChIKey of 7-azabicyclo[4.2.0]octane-3-carbonitrile?
The InChIKey is HYVUYEVITXBUBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c9-4-6-1-2-8-7(3-6)5-10-8/h6-8,10H,1-3,5H2.
What are the key properties of 7-azabicyclo[4.2.0]octane-3-carbonitrile?
7-azabicyclo[4.2.0]octane-3-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 7-azabicyclo[4.2.0]octane-3-carbonitrile is sourced from PubChem (CID 66606965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).