3-(8-azabicyclo[3.2.1]octan-3-ylidene)propanenitrile;hydrochloride

C10H15ClN2 — CID 126844488

IUPAC3-(8-azabicyclo[3.2.1]octan-3-ylidene)propanenitrile;hydrochloride
SMILESCl.N#CCC=C1CC2CCC(C1)N2
InChIInChI=1S/C10H14N2.ClH/c11-5-1-2-8-6-9-3-4-10(7-8)12-9;/h2,9-10,12H,1,3-4,6-7H2;1H
InChIKeyPZQTXWBQYPGUCD-UHFFFAOYSA-N
MW198.70 g/mol
LogP2.16
Rot. Bonds1

About 3-(8-azabicyclo[3.2.1]octan-3-ylidene)propanenitrile;hydrochloride

3-(8-azabicyclo[3.2.1]octan-3-ylidene)propanenitrile;hydrochloride (PubChem CID 126844488) has the molecular formula C10H15ClN2 and a molecular weight of 198.70 g/mol. Its IUPAC name is 3-(8-azabicyclo[3.2.1]octan-3-ylidene)propanenitrile;hydrochloride.

Molecular Properties

Compound Name3-(8-azabicyclo[3.2.1]octan-3-ylidene)propanenitrile;hydrochloride
PubChem CID126844488
Molecular FormulaC10H15ClN2
Molecular Weight198.70 g/mol
Exact Mass198.09
IUPAC Name3-(8-azabicyclo[3.2.1]octan-3-ylidene)propanenitrile;hydrochloride
SMILESCl.N#CCC=C1CC2CCC(C1)N2
InChIInChI=1S/C10H14N2.ClH/c11-5-1-2-8-6-9-3-4-10(7-8)12-9;/h2,9-10,12H,1,3-4,6-7H2;1H
InChIKeyPZQTXWBQYPGUCD-UHFFFAOYSA-N
XLogP2.16
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.70
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(8-azabicyclo[3.2.1]octan-3-ylidene)propanenitrile;hydrochloride?
The IUPAC name of 3-(8-azabicyclo[3.2.1]octan-3-ylidene)propanenitrile;hydrochloride (CID 126844488) is 3-(8-azabicyclo[3.2.1]octan-3-ylidene)propanenitrile;hydrochloride.
What is the SMILES notation for 3-(8-azabicyclo[3.2.1]octan-3-ylidene)propanenitrile;hydrochloride?
The canonical SMILES for 3-(8-azabicyclo[3.2.1]octan-3-ylidene)propanenitrile;hydrochloride is Cl.N#CCC=C1CC2CCC(C1)N2.
What is the InChIKey of 3-(8-azabicyclo[3.2.1]octan-3-ylidene)propanenitrile;hydrochloride?
The InChIKey is PZQTXWBQYPGUCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2.ClH/c11-5-1-2-8-6-9-3-4-10(7-8)12-9;/h2,9-10,12H,1,3-4,6-7H2;1H.
What are the key properties of 3-(8-azabicyclo[3.2.1]octan-3-ylidene)propanenitrile;hydrochloride?
3-(8-azabicyclo[3.2.1]octan-3-ylidene)propanenitrile;hydrochloride has a molecular weight of 198.70 g/mol, XLogP of 2.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8-azabicyclo[3.2.1]octan-3-ylidene)propanenitrile;hydrochloride is sourced from PubChem (CID 126844488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).