(2Z,3S)-2-[(3,4-dichlorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-ol

C14H15Cl2NO — CID 7394316

IUPAC(2Z,3S)-2-[(3,4-dichlorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-ol
SMILESO[C@@H]1/C(=C/c2ccc(Cl)c(Cl)c2)N2CCC1CC2
InChIInChI=1S/C14H15Cl2NO/c15-11-2-1-9(7-12(11)16)8-13-14(18)10-3-5-17(13)6-4-10/h1-2,7-8,10,14,18H,3-6H2/b13-8-/t14-/m0/s1
InChIKeyPYQGKEWKNFJNIM-MQJVFOOVSA-N
MW284.19 g/mol
LogP3.42
Rot. Bonds1

About (2Z,3S)-2-[(3,4-dichlorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-ol

(2Z,3S)-2-[(3,4-dichlorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-ol (PubChem CID 7394316) has the molecular formula C14H15Cl2NO and a molecular weight of 284.19 g/mol. Its IUPAC name is (2Z,3S)-2-[(3,4-dichlorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-ol.

Molecular Properties

Compound Name(2Z,3S)-2-[(3,4-dichlorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-ol
PubChem CID7394316
Molecular FormulaC14H15Cl2NO
Molecular Weight284.19 g/mol
Exact Mass283.05
IUPAC Name(2Z,3S)-2-[(3,4-dichlorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-ol
SMILESO[C@@H]1/C(=C/c2ccc(Cl)c(Cl)c2)N2CCC1CC2
InChIInChI=1S/C14H15Cl2NO/c15-11-2-1-9(7-12(11)16)8-13-14(18)10-3-5-17(13)6-4-10/h1-2,7-8,10,14,18H,3-6H2/b13-8-/t14-/m0/s1
InChIKeyPYQGKEWKNFJNIM-MQJVFOOVSA-N
XLogP3.42
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.19
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2Z,3S)-2-[(3,4-dichlorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-ol with MolForge

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Related Compounds

(2Z,3R)-2-[(3,4-dichlorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-ol
CID 7394314
(2Z,3R)-2-[(3-methylphenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-ol
CID 7394213
2-[(4-methoxy-3-nitrophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-ol
CID 2976646
(3E,5E)-3,5-bis[(3,4-dichlorophenyl)methylidene]oxan-4-ol
CID 6480430
(E)-N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-3-(3,4-dichlorophenyl)prop-2-enamide
CID 20613755
(2Z)-2-[(3-chloro-4-hydroxyphenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-one
CID 110539938
3-(3,4-dichlorophenyl)-1-[(3S)-3-hydroxypyrrolidin-1-yl]prop-2-en-1-one
CID 79030105
2-[(4-chloro-3-fluorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-one
CID 171137617
1-[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]pyrrolidine-2-carboxylic acid
CID 43092074
(2S)-1-[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]pyrrolidine-2-carboxylic acid
CID 92928090
3-(3,4-dichlorophenyl)-1-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]prop-2-en-1-one
CID 79410291
1-(3,4-dichlorophenyl)piperidin-3-ol
CID 117012806

Frequently Asked Questions

What is the IUPAC name of (2Z,3S)-2-[(3,4-dichlorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-ol?
The IUPAC name of (2Z,3S)-2-[(3,4-dichlorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-ol (CID 7394316) is (2Z,3S)-2-[(3,4-dichlorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-ol.
What is the SMILES notation for (2Z,3S)-2-[(3,4-dichlorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-ol?
The canonical SMILES for (2Z,3S)-2-[(3,4-dichlorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-ol is O[C@@H]1/C(=C/c2ccc(Cl)c(Cl)c2)N2CCC1CC2.
What is the InChIKey of (2Z,3S)-2-[(3,4-dichlorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-ol?
The InChIKey is PYQGKEWKNFJNIM-MQJVFOOVSA-N. The full InChI is InChI=1S/C14H15Cl2NO/c15-11-2-1-9(7-12(11)16)8-13-14(18)10-3-5-17(13)6-4-10/h1-2,7-8,10,14,18H,3-6H2/b13-8-/t14-/m0/s1.
What are the key properties of (2Z,3S)-2-[(3,4-dichlorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-ol?
(2Z,3S)-2-[(3,4-dichlorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-ol has a molecular weight of 284.19 g/mol, XLogP of 3.42, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,3S)-2-[(3,4-dichlorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-ol is sourced from PubChem (CID 7394316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).