3-(6-methoxy-3-pyridinyl)-6-azabicyclo[3.2.1]oct-3-ene;dihydrochloride

C13H18Cl2N2O — CID 57485752

IUPAC3-(6-methoxy-3-pyridinyl)-6-azabicyclo[3.2.1]oct-3-ene;dihydrochloride
SMILESCOc1ccc(C2=CC3CC(CN3)C2)cn1.Cl.Cl
InChIInChI=1S/C13H16N2O.2ClH/c1-16-13-3-2-10(8-15-13)11-4-9-5-12(6-11)14-7-9;;/h2-3,6,8-9,12,14H,4-5,7H2,1H3;2*1H
InChIKeyJOQIHSQYJJHPDY-UHFFFAOYSA-N
MW289.21 g/mol
LogP2.70
Rot. Bonds2

About 3-(6-methoxy-3-pyridinyl)-6-azabicyclo[3.2.1]oct-3-ene;dihydrochloride

3-(6-methoxy-3-pyridinyl)-6-azabicyclo[3.2.1]oct-3-ene;dihydrochloride (PubChem CID 57485752) has the molecular formula C13H18Cl2N2O and a molecular weight of 289.21 g/mol. Its IUPAC name is 3-(6-methoxy-3-pyridinyl)-6-azabicyclo[3.2.1]oct-3-ene;dihydrochloride.

Molecular Properties

Compound Name3-(6-methoxy-3-pyridinyl)-6-azabicyclo[3.2.1]oct-3-ene;dihydrochloride
PubChem CID57485752
Molecular FormulaC13H18Cl2N2O
Molecular Weight289.21 g/mol
Exact Mass288.08
IUPAC Name3-(6-methoxy-3-pyridinyl)-6-azabicyclo[3.2.1]oct-3-ene;dihydrochloride
SMILESCOc1ccc(C2=CC3CC(CN3)C2)cn1.Cl.Cl
InChIInChI=1S/C13H16N2O.2ClH/c1-16-13-3-2-10(8-15-13)11-4-9-5-12(6-11)14-7-9;;/h2-3,6,8-9,12,14H,4-5,7H2,1H3;2*1H
InChIKeyJOQIHSQYJJHPDY-UHFFFAOYSA-N
XLogP2.70
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.21
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S,5R)-7-(6-methoxy-3-pyridinyl)-3-methyl-3-azabicyclo[3.3.1]non-6-ene
CID 71512029
6-(6-methoxy-3-pyridinyl)-2-azabicyclo[2.2.2]oct-5-ene
CID 139841293
7-(6-methoxy-3-pyridinyl)-2-azabicyclo[3.2.1]oct-6-ene
CID 57486261
3-(6-methoxy-3-pyridinyl)cyclohex-2-en-1-ol
CID 10822113
5-(4-iodophenyl)-2-methoxypyridine
CID 121329970
7-(6-chloro-3-pyridinyl)-3-azabicyclo[3.3.1]non-6-ene
CID 57486336
5-(2-ethylcyclopropyl)-2-methoxypyridine
CID 59988749
3-methoxy-6-(6-methoxy-3-pyridinyl)pyridazine
CID 24851547
(1S)-4-(6-methoxy-3-pyridinyl)cyclohex-3-ene-1-carbonitrile
CID 139511925
8-(6-methoxy-3-pyridinyl)-1-azaspiro[4.4]non-7-ene
CID 68652299
2-methoxy-4-(6-methoxy-3-pyridinyl)-N-methylaniline
CID 170114993
cis-(1R,2R)-2-(6-methoxy-3-pyridinyl)cyclopropane-1-carbaldehyde
CID 130863052

Frequently Asked Questions

What is the IUPAC name of 3-(6-methoxy-3-pyridinyl)-6-azabicyclo[3.2.1]oct-3-ene;dihydrochloride?
The IUPAC name of 3-(6-methoxy-3-pyridinyl)-6-azabicyclo[3.2.1]oct-3-ene;dihydrochloride (CID 57485752) is 3-(6-methoxy-3-pyridinyl)-6-azabicyclo[3.2.1]oct-3-ene;dihydrochloride.
What is the SMILES notation for 3-(6-methoxy-3-pyridinyl)-6-azabicyclo[3.2.1]oct-3-ene;dihydrochloride?
The canonical SMILES for 3-(6-methoxy-3-pyridinyl)-6-azabicyclo[3.2.1]oct-3-ene;dihydrochloride is COc1ccc(C2=CC3CC(CN3)C2)cn1.Cl.Cl.
What is the InChIKey of 3-(6-methoxy-3-pyridinyl)-6-azabicyclo[3.2.1]oct-3-ene;dihydrochloride?
The InChIKey is JOQIHSQYJJHPDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O.2ClH/c1-16-13-3-2-10(8-15-13)11-4-9-5-12(6-11)14-7-9;;/h2-3,6,8-9,12,14H,4-5,7H2,1H3;2*1H.
What are the key properties of 3-(6-methoxy-3-pyridinyl)-6-azabicyclo[3.2.1]oct-3-ene;dihydrochloride?
3-(6-methoxy-3-pyridinyl)-6-azabicyclo[3.2.1]oct-3-ene;dihydrochloride has a molecular weight of 289.21 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methoxy-3-pyridinyl)-6-azabicyclo[3.2.1]oct-3-ene;dihydrochloride is sourced from PubChem (CID 57485752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).