2-(8-azabicyclo[3.2.1]octan-3-ylidene)propanedinitrile

C10H11N3 — CID 138625082

IUPAC2-(8-azabicyclo[3.2.1]octan-3-ylidene)propanedinitrile
SMILESN#CC(C#N)=C1CC2CCC(C1)N2
InChIInChI=1S/C10H11N3/c11-5-8(6-12)7-3-9-1-2-10(4-7)13-9/h9-10,13H,1-4H2
InChIKeyORCKZGZIWOUYKD-UHFFFAOYSA-N
MW173.22 g/mol
LogP1.24
Rot. Bonds

About 2-(8-azabicyclo[3.2.1]octan-3-ylidene)propanedinitrile

2-(8-azabicyclo[3.2.1]octan-3-ylidene)propanedinitrile (PubChem CID 138625082) has the molecular formula C10H11N3 and a molecular weight of 173.22 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-ylidene)propanedinitrile.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-ylidene)propanedinitrile
PubChem CID138625082
Molecular FormulaC10H11N3
Molecular Weight173.22 g/mol
Exact Mass173.10
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-ylidene)propanedinitrile
SMILESN#CC(C#N)=C1CC2CCC(C1)N2
InChIInChI=1S/C10H11N3/c11-5-8(6-12)7-3-9-1-2-10(4-7)13-9/h9-10,13H,1-4H2
InChIKeyORCKZGZIWOUYKD-UHFFFAOYSA-N
XLogP1.24
TPSA59.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-ylidene)propanedinitrile?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-ylidene)propanedinitrile (CID 138625082) is 2-(8-azabicyclo[3.2.1]octan-3-ylidene)propanedinitrile.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-ylidene)propanedinitrile?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-ylidene)propanedinitrile is N#CC(C#N)=C1CC2CCC(C1)N2.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-ylidene)propanedinitrile?
The InChIKey is ORCKZGZIWOUYKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3/c11-5-8(6-12)7-3-9-1-2-10(4-7)13-9/h9-10,13H,1-4H2.
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-ylidene)propanedinitrile?
2-(8-azabicyclo[3.2.1]octan-3-ylidene)propanedinitrile has a molecular weight of 173.22 g/mol, XLogP of 1.24, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-azabicyclo[3.2.1]octan-3-ylidene)propanedinitrile is sourced from PubChem (CID 138625082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).