(E)-[(2E)-2-[(2-chlorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-ylidene]hydrazine;hydrochloride

C14H17Cl2N3 — CID 45043310

IUPAC(E)-[(2E)-2-[(2-chlorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-ylidene]hydrazine;hydrochloride
SMILESCl.N/N=C1C(=C\c2ccccc2Cl)/N2CCC/1CC2
InChIInChI=1S/C14H16ClN3.ClH/c15-12-4-2-1-3-11(12)9-13-14(17-16)10-5-7-18(13)8-6-10;/h1-4,9-10H,5-8,16H2;1H/b13-9+,17-14+;
InChIKeyKFGQPOXEYSJRLZ-BQBXEDSXSA-N
MW298.22 g/mol
LogP3.14
Rot. Bonds1

About (E)-[(2E)-2-[(2-chlorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-ylidene]hydrazine;hydrochloride

(E)-[(2E)-2-[(2-chlorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-ylidene]hydrazine;hydrochloride (PubChem CID 45043310) has the molecular formula C14H17Cl2N3 and a molecular weight of 298.22 g/mol. Its IUPAC name is (E)-[(2E)-2-[(2-chlorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-ylidene]hydrazine;hydrochloride.

Molecular Properties

Compound Name(E)-[(2E)-2-[(2-chlorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-ylidene]hydrazine;hydrochloride
PubChem CID45043310
Molecular FormulaC14H17Cl2N3
Molecular Weight298.22 g/mol
Exact Mass297.08
IUPAC Name(E)-[(2E)-2-[(2-chlorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-ylidene]hydrazine;hydrochloride
SMILESCl.N/N=C1C(=C\c2ccccc2Cl)/N2CCC/1CC2
InChIInChI=1S/C14H16ClN3.ClH/c15-12-4-2-1-3-11(12)9-13-14(17-16)10-5-7-18(13)8-6-10;/h1-4,9-10H,5-8,16H2;1H/b13-9+,17-14+;
InChIKeyKFGQPOXEYSJRLZ-BQBXEDSXSA-N
XLogP3.14
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-[(2E)-2-[(2-chlorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-ylidene]hydrazine;hydrochloride?
The IUPAC name of (E)-[(2E)-2-[(2-chlorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-ylidene]hydrazine;hydrochloride (CID 45043310) is (E)-[(2E)-2-[(2-chlorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-ylidene]hydrazine;hydrochloride.
What is the SMILES notation for (E)-[(2E)-2-[(2-chlorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-ylidene]hydrazine;hydrochloride?
The canonical SMILES for (E)-[(2E)-2-[(2-chlorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-ylidene]hydrazine;hydrochloride is Cl.N/N=C1C(=C\c2ccccc2Cl)/N2CCC/1CC2.
What is the InChIKey of (E)-[(2E)-2-[(2-chlorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-ylidene]hydrazine;hydrochloride?
The InChIKey is KFGQPOXEYSJRLZ-BQBXEDSXSA-N. The full InChI is InChI=1S/C14H16ClN3.ClH/c15-12-4-2-1-3-11(12)9-13-14(17-16)10-5-7-18(13)8-6-10;/h1-4,9-10H,5-8,16H2;1H/b13-9+,17-14+;.
What are the key properties of (E)-[(2E)-2-[(2-chlorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-ylidene]hydrazine;hydrochloride?
(E)-[(2E)-2-[(2-chlorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-ylidene]hydrazine;hydrochloride has a molecular weight of 298.22 g/mol, XLogP of 3.14, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-[(2E)-2-[(2-chlorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-ylidene]hydrazine;hydrochloride is sourced from PubChem (CID 45043310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).