hydron;2-methylidene-3-(2-methylphenyl)-1-azabicyclo[2.2.2]octan-3-ol;chloride

C15H20ClNO — CID 660869

IUPAChydron;2-methylidene-3-(2-methylphenyl)-1-azabicyclo[2.2.2]octan-3-ol;chloride
SMILESC=C1N2CCC(CC2)C1(O)c1ccccc1C.[Cl-].[H+]
InChIInChI=1S/C15H19NO.ClH/c1-11-5-3-4-6-14(11)15(17)12(2)16-9-7-13(15)8-10-16;/h3-6,13,17H,2,7-10H2,1H3;1H
InChIKeyXHEVYNDBRRBQND-UHFFFAOYSA-N
MW265.78 g/mol
LogP-0.46
Rot. Bonds1

About hydron;2-methylidene-3-(2-methylphenyl)-1-azabicyclo[2.2.2]octan-3-ol;chloride

hydron;2-methylidene-3-(2-methylphenyl)-1-azabicyclo[2.2.2]octan-3-ol;chloride (PubChem CID 660869) has the molecular formula C15H20ClNO and a molecular weight of 265.78 g/mol. Its IUPAC name is hydron;2-methylidene-3-(2-methylphenyl)-1-azabicyclo[2.2.2]octan-3-ol;chloride.

Molecular Properties

Compound Namehydron;2-methylidene-3-(2-methylphenyl)-1-azabicyclo[2.2.2]octan-3-ol;chloride
PubChem CID660869
Molecular FormulaC15H20ClNO
Molecular Weight265.78 g/mol
Exact Mass265.12
IUPAC Namehydron;2-methylidene-3-(2-methylphenyl)-1-azabicyclo[2.2.2]octan-3-ol;chloride
SMILESC=C1N2CCC(CC2)C1(O)c1ccccc1C.[Cl-].[H+]
InChIInChI=1S/C15H19NO.ClH/c1-11-5-3-4-6-14(11)15(17)12(2)16-9-7-13(15)8-10-16;/h3-6,13,17H,2,7-10H2,1H3;1H
InChIKeyXHEVYNDBRRBQND-UHFFFAOYSA-N
XLogP-0.46
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.78
LogP ≤ 5-0.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of hydron;2-methylidene-3-(2-methylphenyl)-1-azabicyclo[2.2.2]octan-3-ol;chloride?
The IUPAC name of hydron;2-methylidene-3-(2-methylphenyl)-1-azabicyclo[2.2.2]octan-3-ol;chloride (CID 660869) is hydron;2-methylidene-3-(2-methylphenyl)-1-azabicyclo[2.2.2]octan-3-ol;chloride.
What is the SMILES notation for hydron;2-methylidene-3-(2-methylphenyl)-1-azabicyclo[2.2.2]octan-3-ol;chloride?
The canonical SMILES for hydron;2-methylidene-3-(2-methylphenyl)-1-azabicyclo[2.2.2]octan-3-ol;chloride is C=C1N2CCC(CC2)C1(O)c1ccccc1C.[Cl-].[H+].
What is the InChIKey of hydron;2-methylidene-3-(2-methylphenyl)-1-azabicyclo[2.2.2]octan-3-ol;chloride?
The InChIKey is XHEVYNDBRRBQND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO.ClH/c1-11-5-3-4-6-14(11)15(17)12(2)16-9-7-13(15)8-10-16;/h3-6,13,17H,2,7-10H2,1H3;1H.
What are the key properties of hydron;2-methylidene-3-(2-methylphenyl)-1-azabicyclo[2.2.2]octan-3-ol;chloride?
hydron;2-methylidene-3-(2-methylphenyl)-1-azabicyclo[2.2.2]octan-3-ol;chloride has a molecular weight of 265.78 g/mol, XLogP of -0.46, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hydron;2-methylidene-3-(2-methylphenyl)-1-azabicyclo[2.2.2]octan-3-ol;chloride is sourced from PubChem (CID 660869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).