(2Z,3R)-2-[(3-methylphenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-ol

C15H19NO — CID 7394213

IUPAC(2Z,3R)-2-[(3-methylphenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-ol
SMILESCc1cccc(/C=C2/[C@H](O)C3CCN2CC3)c1
InChIInChI=1S/C15H19NO/c1-11-3-2-4-12(9-11)10-14-15(17)13-5-7-16(14)8-6-13/h2-4,9-10,13,15,17H,5-8H2,1H3/b14-10-/t15-/m1/s1
InChIKeyGEFLGAHYWXRJBV-BAAYTWLHSA-N
MW229.32 g/mol
LogP2.42
Rot. Bonds1

About (2Z,3R)-2-[(3-methylphenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-ol

(2Z,3R)-2-[(3-methylphenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-ol (PubChem CID 7394213) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is (2Z,3R)-2-[(3-methylphenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-ol.

Molecular Properties

Compound Name(2Z,3R)-2-[(3-methylphenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-ol
PubChem CID7394213
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name(2Z,3R)-2-[(3-methylphenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-ol
SMILESCc1cccc(/C=C2/[C@H](O)C3CCN2CC3)c1
InChIInChI=1S/C15H19NO/c1-11-3-2-4-12(9-11)10-14-15(17)13-5-7-16(14)8-6-13/h2-4,9-10,13,15,17H,5-8H2,1H3/b14-10-/t15-/m1/s1
InChIKeyGEFLGAHYWXRJBV-BAAYTWLHSA-N
XLogP2.42
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2Z,3S)-2-[(3,4-dichlorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-ol
CID 7394316
2-[(4-methoxy-3-nitrophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-ol
CID 2976646
ethane;1-(3-methylphenyl)pyrrolidin-3-ol
CID 168922938
1-ethenyl-3-methylbenzene
CID 7529
1-[(E)-3-(3-methylphenyl)prop-2-enoyl]piperidine-4-carboxylic acid
CID 43091920
1-methyl-3-[(E)-2-(3-methylphenyl)ethenyl]benzene
CID 12625550
3-methyl-1-[(E)-3-(3-methylphenyl)prop-2-enoyl]pyrrolidine-2-carboxylic acid
CID 102775794
(E)-1-(3-hydroxypiperidin-1-yl)-3-(3-methylphenyl)prop-2-en-1-one
CID 43415765
1-(3-methylphenyl)piperidine-4-carboxylic acid
CID 59023368
[1-(3-methylphenyl)piperidin-4-yl]methanol
CID 117027926
N,N-dimethyl-2-[(3-methylphenyl)methylidene]cyclohexan-1-amine
CID 54000069
(2E)-2-[(3-methylphenyl)methylidene]-5-pyrrolidin-1-ylthiophen-3-one
CID 121460771

Frequently Asked Questions

What is the IUPAC name of (2Z,3R)-2-[(3-methylphenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-ol?
The IUPAC name of (2Z,3R)-2-[(3-methylphenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-ol (CID 7394213) is (2Z,3R)-2-[(3-methylphenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-ol.
What is the SMILES notation for (2Z,3R)-2-[(3-methylphenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-ol?
The canonical SMILES for (2Z,3R)-2-[(3-methylphenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-ol is Cc1cccc(/C=C2/[C@H](O)C3CCN2CC3)c1.
What is the InChIKey of (2Z,3R)-2-[(3-methylphenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-ol?
The InChIKey is GEFLGAHYWXRJBV-BAAYTWLHSA-N. The full InChI is InChI=1S/C15H19NO/c1-11-3-2-4-12(9-11)10-14-15(17)13-5-7-16(14)8-6-13/h2-4,9-10,13,15,17H,5-8H2,1H3/b14-10-/t15-/m1/s1.
What are the key properties of (2Z,3R)-2-[(3-methylphenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-ol?
(2Z,3R)-2-[(3-methylphenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-ol has a molecular weight of 229.32 g/mol, XLogP of 2.42, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,3R)-2-[(3-methylphenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-ol is sourced from PubChem (CID 7394213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).