8-azabicyclo[3.2.1]oct-2-ene;hydrochloride

C7H12ClN — CID 71757059

IUPAC8-azabicyclo[3.2.1]oct-2-ene;hydrochloride
SMILESC1=CC2CCC(C1)N2.Cl
InChIInChI=1S/C7H11N.ClH/c1-2-6-4-5-7(3-1)8-6;/h1-2,6-8H,3-5H2;1H
InChIKeyLSUMTEMFIXRQAM-UHFFFAOYSA-N
MW145.63 g/mol
LogP1.49
Rot. Bonds

About 8-azabicyclo[3.2.1]oct-2-ene;hydrochloride

8-azabicyclo[3.2.1]oct-2-ene;hydrochloride (PubChem CID 71757059) has the molecular formula C7H12ClN and a molecular weight of 145.63 g/mol. Its IUPAC name is 8-azabicyclo[3.2.1]oct-2-ene;hydrochloride.

Molecular Properties

Compound Name8-azabicyclo[3.2.1]oct-2-ene;hydrochloride
PubChem CID71757059
Molecular FormulaC7H12ClN
Molecular Weight145.63 g/mol
Exact Mass145.07
IUPAC Name8-azabicyclo[3.2.1]oct-2-ene;hydrochloride
SMILESC1=CC2CCC(C1)N2.Cl
InChIInChI=1S/C7H11N.ClH/c1-2-6-4-5-7(3-1)8-6;/h1-2,6-8H,3-5H2;1H
InChIKeyLSUMTEMFIXRQAM-UHFFFAOYSA-N
XLogP1.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.63
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 8-azabicyclo[3.2.1]oct-2-ene;hydrochloride?
The IUPAC name of 8-azabicyclo[3.2.1]oct-2-ene;hydrochloride (CID 71757059) is 8-azabicyclo[3.2.1]oct-2-ene;hydrochloride.
What is the SMILES notation for 8-azabicyclo[3.2.1]oct-2-ene;hydrochloride?
The canonical SMILES for 8-azabicyclo[3.2.1]oct-2-ene;hydrochloride is C1=CC2CCC(C1)N2.Cl.
What is the InChIKey of 8-azabicyclo[3.2.1]oct-2-ene;hydrochloride?
The InChIKey is LSUMTEMFIXRQAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N.ClH/c1-2-6-4-5-7(3-1)8-6;/h1-2,6-8H,3-5H2;1H.
What are the key properties of 8-azabicyclo[3.2.1]oct-2-ene;hydrochloride?
8-azabicyclo[3.2.1]oct-2-ene;hydrochloride has a molecular weight of 145.63 g/mol, XLogP of 1.49, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-azabicyclo[3.2.1]oct-2-ene;hydrochloride is sourced from PubChem (CID 71757059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).