1-chloro-2-[(3E,5Z)-octa-1,3,5,7-tetraen-3-yl]hydrazine

C8H11ClN2 — CID 89150066

IUPAC1-chloro-2-[(3E,5Z)-octa-1,3,5,7-tetraen-3-yl]hydrazine
SMILESC=C/C=C\C=C(/C=C)NNCl
InChIInChI=1S/C8H11ClN2/c1-3-5-6-7-8(4-2)10-11-9/h3-7,10-11H,1-2H2/b6-5-,8-7+
InChIKeyUQFZSJQATLIQSD-IGTJQSIKSA-N
MW170.64 g/mol
LogP2.05
Rot. Bonds5

About 1-chloro-2-[(3E,5Z)-octa-1,3,5,7-tetraen-3-yl]hydrazine

1-chloro-2-[(3E,5Z)-octa-1,3,5,7-tetraen-3-yl]hydrazine (PubChem CID 89150066) has the molecular formula C8H11ClN2 and a molecular weight of 170.64 g/mol. Its IUPAC name is 1-chloro-2-[(3E,5Z)-octa-1,3,5,7-tetraen-3-yl]hydrazine.

Molecular Properties

Compound Name1-chloro-2-[(3E,5Z)-octa-1,3,5,7-tetraen-3-yl]hydrazine
PubChem CID89150066
Molecular FormulaC8H11ClN2
Molecular Weight170.64 g/mol
Exact Mass170.06
IUPAC Name1-chloro-2-[(3E,5Z)-octa-1,3,5,7-tetraen-3-yl]hydrazine
SMILESC=C/C=C\C=C(/C=C)NNCl
InChIInChI=1S/C8H11ClN2/c1-3-5-6-7-8(4-2)10-11-9/h3-7,10-11H,1-2H2/b6-5-,8-7+
InChIKeyUQFZSJQATLIQSD-IGTJQSIKSA-N
XLogP2.05
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.64
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-[(3E,5Z)-octa-1,3,5,7-tetraen-3-yl]hydrazine?
The IUPAC name of 1-chloro-2-[(3E,5Z)-octa-1,3,5,7-tetraen-3-yl]hydrazine (CID 89150066) is 1-chloro-2-[(3E,5Z)-octa-1,3,5,7-tetraen-3-yl]hydrazine.
What is the SMILES notation for 1-chloro-2-[(3E,5Z)-octa-1,3,5,7-tetraen-3-yl]hydrazine?
The canonical SMILES for 1-chloro-2-[(3E,5Z)-octa-1,3,5,7-tetraen-3-yl]hydrazine is C=C/C=C\C=C(/C=C)NNCl.
What is the InChIKey of 1-chloro-2-[(3E,5Z)-octa-1,3,5,7-tetraen-3-yl]hydrazine?
The InChIKey is UQFZSJQATLIQSD-IGTJQSIKSA-N. The full InChI is InChI=1S/C8H11ClN2/c1-3-5-6-7-8(4-2)10-11-9/h3-7,10-11H,1-2H2/b6-5-,8-7+.
What are the key properties of 1-chloro-2-[(3E,5Z)-octa-1,3,5,7-tetraen-3-yl]hydrazine?
1-chloro-2-[(3E,5Z)-octa-1,3,5,7-tetraen-3-yl]hydrazine has a molecular weight of 170.64 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-[(3E,5Z)-octa-1,3,5,7-tetraen-3-yl]hydrazine is sourced from PubChem (CID 89150066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).