(Z)-(3-chlorocyclohepta-2,6-dien-1-ylidene)hydrazine

C7H9ClN2 — CID 123722349

IUPAC(Z)-(3-chlorocyclohepta-2,6-dien-1-ylidene)hydrazine
SMILESN/N=C1/C=CCCC(Cl)=C1
InChIInChI=1S/C7H9ClN2/c8-6-3-1-2-4-7(5-6)10-9/h2,4-5H,1,3,9H2/b10-7-
InChIKeyGFIBIAKLHWOQOB-YFHOEESVSA-N
MW156.62 g/mol
LogP1.77
Rot. Bonds

About (Z)-(3-chlorocyclohepta-2,6-dien-1-ylidene)hydrazine

(Z)-(3-chlorocyclohepta-2,6-dien-1-ylidene)hydrazine (PubChem CID 123722349) has the molecular formula C7H9ClN2 and a molecular weight of 156.62 g/mol. Its IUPAC name is (Z)-(3-chlorocyclohepta-2,6-dien-1-ylidene)hydrazine.

Molecular Properties

Compound Name(Z)-(3-chlorocyclohepta-2,6-dien-1-ylidene)hydrazine
PubChem CID123722349
Molecular FormulaC7H9ClN2
Molecular Weight156.62 g/mol
Exact Mass156.05
IUPAC Name(Z)-(3-chlorocyclohepta-2,6-dien-1-ylidene)hydrazine
SMILESN/N=C1/C=CCCC(Cl)=C1
InChIInChI=1S/C7H9ClN2/c8-6-3-1-2-4-7(5-6)10-9/h2,4-5H,1,3,9H2/b10-7-
InChIKeyGFIBIAKLHWOQOB-YFHOEESVSA-N
XLogP1.77
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.62
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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Related Compounds

7-chloro-3-ethenyl-4H-diazepine
CID 129313926

Frequently Asked Questions

What is the IUPAC name of (Z)-(3-chlorocyclohepta-2,6-dien-1-ylidene)hydrazine?
The IUPAC name of (Z)-(3-chlorocyclohepta-2,6-dien-1-ylidene)hydrazine (CID 123722349) is (Z)-(3-chlorocyclohepta-2,6-dien-1-ylidene)hydrazine.
What is the SMILES notation for (Z)-(3-chlorocyclohepta-2,6-dien-1-ylidene)hydrazine?
The canonical SMILES for (Z)-(3-chlorocyclohepta-2,6-dien-1-ylidene)hydrazine is N/N=C1/C=CCCC(Cl)=C1.
What is the InChIKey of (Z)-(3-chlorocyclohepta-2,6-dien-1-ylidene)hydrazine?
The InChIKey is GFIBIAKLHWOQOB-YFHOEESVSA-N. The full InChI is InChI=1S/C7H9ClN2/c8-6-3-1-2-4-7(5-6)10-9/h2,4-5H,1,3,9H2/b10-7-.
What are the key properties of (Z)-(3-chlorocyclohepta-2,6-dien-1-ylidene)hydrazine?
(Z)-(3-chlorocyclohepta-2,6-dien-1-ylidene)hydrazine has a molecular weight of 156.62 g/mol, XLogP of 1.77, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-(3-chlorocyclohepta-2,6-dien-1-ylidene)hydrazine is sourced from PubChem (CID 123722349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).