(2-methylidene-1-azabicyclo[2.2.2]octan-3-yl) 2-hydroxy-2,2-diphenylacetate;hydrochloride

C22H24ClNO3 — CID 24845982

IUPAC(2-methylidene-1-azabicyclo[2.2.2]octan-3-yl) 2-hydroxy-2,2-diphenylacetate;hydrochloride
SMILESC=C1C(OC(=O)C(O)(c2ccccc2)c2ccccc2)C2CCN1CC2.Cl
InChIInChI=1S/C22H23NO3.ClH/c1-16-20(17-12-14-23(16)15-13-17)26-21(24)22(25,18-8-4-2-5-9-18)19-10-6-3-7-11-19;/h2-11,17,20,25H,1,12-15H2;1H
InChIKeyMQVXVBAMSOWIEA-UHFFFAOYSA-N
MW385.89 g/mol
LogP3.50
Rot. Bonds4

About (2-methylidene-1-azabicyclo[2.2.2]octan-3-yl) 2-hydroxy-2,2-diphenylacetate;hydrochloride

(2-methylidene-1-azabicyclo[2.2.2]octan-3-yl) 2-hydroxy-2,2-diphenylacetate;hydrochloride (PubChem CID 24845982) has the molecular formula C22H24ClNO3 and a molecular weight of 385.89 g/mol. Its IUPAC name is (2-methylidene-1-azabicyclo[2.2.2]octan-3-yl) 2-hydroxy-2,2-diphenylacetate;hydrochloride.

Molecular Properties

Compound Name(2-methylidene-1-azabicyclo[2.2.2]octan-3-yl) 2-hydroxy-2,2-diphenylacetate;hydrochloride
PubChem CID24845982
Molecular FormulaC22H24ClNO3
Molecular Weight385.89 g/mol
Exact Mass385.14
IUPAC Name(2-methylidene-1-azabicyclo[2.2.2]octan-3-yl) 2-hydroxy-2,2-diphenylacetate;hydrochloride
SMILESC=C1C(OC(=O)C(O)(c2ccccc2)c2ccccc2)C2CCN1CC2.Cl
InChIInChI=1S/C22H23NO3.ClH/c1-16-20(17-12-14-23(16)15-13-17)26-21(24)22(25,18-8-4-2-5-9-18)19-10-6-3-7-11-19;/h2-11,17,20,25H,1,12-15H2;1H
InChIKeyMQVXVBAMSOWIEA-UHFFFAOYSA-N
XLogP3.50
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.89
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2-methylidene-1-azabicyclo[2.2.2]octan-3-yl) 2-hydroxy-2,2-diphenylacetate;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2-methylidene-1-azabicyclo[2.2.2]octan-3-yl) 2-hydroxy-2,2-diphenylacetate;hydrochloride?
The IUPAC name of (2-methylidene-1-azabicyclo[2.2.2]octan-3-yl) 2-hydroxy-2,2-diphenylacetate;hydrochloride (CID 24845982) is (2-methylidene-1-azabicyclo[2.2.2]octan-3-yl) 2-hydroxy-2,2-diphenylacetate;hydrochloride.
What is the SMILES notation for (2-methylidene-1-azabicyclo[2.2.2]octan-3-yl) 2-hydroxy-2,2-diphenylacetate;hydrochloride?
The canonical SMILES for (2-methylidene-1-azabicyclo[2.2.2]octan-3-yl) 2-hydroxy-2,2-diphenylacetate;hydrochloride is C=C1C(OC(=O)C(O)(c2ccccc2)c2ccccc2)C2CCN1CC2.Cl.
What is the InChIKey of (2-methylidene-1-azabicyclo[2.2.2]octan-3-yl) 2-hydroxy-2,2-diphenylacetate;hydrochloride?
The InChIKey is MQVXVBAMSOWIEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO3.ClH/c1-16-20(17-12-14-23(16)15-13-17)26-21(24)22(25,18-8-4-2-5-9-18)19-10-6-3-7-11-19;/h2-11,17,20,25H,1,12-15H2;1H.
What are the key properties of (2-methylidene-1-azabicyclo[2.2.2]octan-3-yl) 2-hydroxy-2,2-diphenylacetate;hydrochloride?
(2-methylidene-1-azabicyclo[2.2.2]octan-3-yl) 2-hydroxy-2,2-diphenylacetate;hydrochloride has a molecular weight of 385.89 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylidene-1-azabicyclo[2.2.2]octan-3-yl) 2-hydroxy-2,2-diphenylacetate;hydrochloride is sourced from PubChem (CID 24845982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).