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

C14H16ClN3 — CID 6859730

IUPAC(E)-[(2E)-2-[(2-chlorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-ylidene]hydrazine
SMILESN/N=C1C(=C\c2ccccc2Cl)/N2CCC/1CC2
InChIInChI=1S/C14H16ClN3/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/b13-9+,17-14+
InChIKeyUQKVQBFJZFLGCL-LWZLUOGLSA-N
MW261.76 g/mol
LogP2.72
Rot. Bonds1

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

(E)-[(2E)-2-[(2-chlorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-ylidene]hydrazine (PubChem CID 6859730) has the molecular formula C14H16ClN3 and a molecular weight of 261.76 g/mol. Its IUPAC name is (E)-[(2E)-2-[(2-chlorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-ylidene]hydrazine.

Molecular Properties

Compound Name(E)-[(2E)-2-[(2-chlorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-ylidene]hydrazine
PubChem CID6859730
Molecular FormulaC14H16ClN3
Molecular Weight261.76 g/mol
Exact Mass261.10
IUPAC Name(E)-[(2E)-2-[(2-chlorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-ylidene]hydrazine
SMILESN/N=C1C(=C\c2ccccc2Cl)/N2CCC/1CC2
InChIInChI=1S/C14H16ClN3/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/b13-9+,17-14+
InChIKeyUQKVQBFJZFLGCL-LWZLUOGLSA-N
XLogP2.72
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.76
LogP ≤ 52.72
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?
The IUPAC name of (E)-[(2E)-2-[(2-chlorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-ylidene]hydrazine (CID 6859730) is (E)-[(2E)-2-[(2-chlorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-ylidene]hydrazine.
What is the SMILES notation for (E)-[(2E)-2-[(2-chlorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-ylidene]hydrazine?
The canonical SMILES for (E)-[(2E)-2-[(2-chlorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-ylidene]hydrazine is 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?
The InChIKey is UQKVQBFJZFLGCL-LWZLUOGLSA-N. The full InChI is InChI=1S/C14H16ClN3/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/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?
(E)-[(2E)-2-[(2-chlorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-ylidene]hydrazine has a molecular weight of 261.76 g/mol, XLogP of 2.72, 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 is sourced from PubChem (CID 6859730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).