[(3E,5E)-6-chlorohepta-1,3,5-trien-3-yl]hydrazine

C7H11ClN2 — CID 142912551

IUPAC[(3E,5E)-6-chlorohepta-1,3,5-trien-3-yl]hydrazine
SMILESC=C/C(=C\C=C(/C)Cl)NN
InChIInChI=1S/C7H11ClN2/c1-3-7(10-9)5-4-6(2)8/h3-5,10H,1,9H2,2H3/b6-4+,7-5+
InChIKeyHYPQZVWAPIDEHN-YDFGWWAZSA-N
MW158.63 g/mol
LogP1.66
Rot. Bonds3

About [(3E,5E)-6-chlorohepta-1,3,5-trien-3-yl]hydrazine

[(3E,5E)-6-chlorohepta-1,3,5-trien-3-yl]hydrazine (PubChem CID 142912551) has the molecular formula C7H11ClN2 and a molecular weight of 158.63 g/mol. Its IUPAC name is [(3E,5E)-6-chlorohepta-1,3,5-trien-3-yl]hydrazine.

Molecular Properties

Compound Name[(3E,5E)-6-chlorohepta-1,3,5-trien-3-yl]hydrazine
PubChem CID142912551
Molecular FormulaC7H11ClN2
Molecular Weight158.63 g/mol
Exact Mass158.06
IUPAC Name[(3E,5E)-6-chlorohepta-1,3,5-trien-3-yl]hydrazine
SMILESC=C/C(=C\C=C(/C)Cl)NN
InChIInChI=1S/C7H11ClN2/c1-3-7(10-9)5-4-6(2)8/h3-5,10H,1,9H2,2H3/b6-4+,7-5+
InChIKeyHYPQZVWAPIDEHN-YDFGWWAZSA-N
XLogP1.66
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.63
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]hydrazine
CID 145347288
[(3E,5E)-5-fluorohepta-1,3,5-trien-4-yl]hydrazine
CID 146285260
[(2E,4E)-4-chloro-6-fluorohepta-2,4,6-trien-3-yl]hydrazine
CID 154687888
[(3E,5E)-5-fluorohepta-1,3,5-trien-3-yl]hydrazine
CID 167158859
3-Methyl-5-methylidene-1,2-dihydropyrazole
CID 58074490
[(2E,4Z)-hexa-2,4-dien-3-yl]hydrazine
CID 59490935
[(2E,4Z)-hepta-2,4,6-trien-3-yl]hydrazine
CID 87425460
3-Chloro-6-methyl-1,2-dihydropyridazine
CID 89001113
1-chloro-2-[(3E,5Z)-octa-1,3,5,7-tetraen-3-yl]hydrazine
CID 89150066
(3E,5E)-6-hydrazinylhepta-1,3,5-trien-3-amine
CID 89153818
[(3E,5Z)-hepta-1,3,5-trien-4-yl]hydrazine
CID 89423634
[(3E)-hexa-1,3,5-trien-3-yl]hydrazine
CID 89670806

Frequently Asked Questions

What is the IUPAC name of [(3E,5E)-6-chlorohepta-1,3,5-trien-3-yl]hydrazine?
The IUPAC name of [(3E,5E)-6-chlorohepta-1,3,5-trien-3-yl]hydrazine (CID 142912551) is [(3E,5E)-6-chlorohepta-1,3,5-trien-3-yl]hydrazine.
What is the SMILES notation for [(3E,5E)-6-chlorohepta-1,3,5-trien-3-yl]hydrazine?
The canonical SMILES for [(3E,5E)-6-chlorohepta-1,3,5-trien-3-yl]hydrazine is C=C/C(=C\C=C(/C)Cl)NN.
What is the InChIKey of [(3E,5E)-6-chlorohepta-1,3,5-trien-3-yl]hydrazine?
The InChIKey is HYPQZVWAPIDEHN-YDFGWWAZSA-N. The full InChI is InChI=1S/C7H11ClN2/c1-3-7(10-9)5-4-6(2)8/h3-5,10H,1,9H2,2H3/b6-4+,7-5+.
What are the key properties of [(3E,5E)-6-chlorohepta-1,3,5-trien-3-yl]hydrazine?
[(3E,5E)-6-chlorohepta-1,3,5-trien-3-yl]hydrazine has a molecular weight of 158.63 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3E,5E)-6-chlorohepta-1,3,5-trien-3-yl]hydrazine is sourced from PubChem (CID 142912551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).