1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)hex-5-ynylhydrazine

C14H18N2 — CID 105224756

IUPAC1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)hex-5-ynylhydrazine
SMILESC#CCCCC(NN)C1Cc2ccccc21
InChIInChI=1S/C14H18N2/c1-2-3-4-9-14(16-15)13-10-11-7-5-6-8-12(11)13/h1,5-8,13-14,16H,3-4,9-10,15H2
InChIKeyWDZFWOGUEWEXHF-UHFFFAOYSA-N
MW214.31 g/mol
LogP1.96
Rot. Bonds5

About 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)hex-5-ynylhydrazine

1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)hex-5-ynylhydrazine (PubChem CID 105224756) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)hex-5-ynylhydrazine.

Molecular Properties

Compound Name1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)hex-5-ynylhydrazine
PubChem CID105224756
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)hex-5-ynylhydrazine
SMILESC#CCCCC(NN)C1Cc2ccccc21
InChIInChI=1S/C14H18N2/c1-2-3-4-9-14(16-15)13-10-11-7-5-6-8-12(11)13/h1,5-8,13-14,16H,3-4,9-10,15H2
InChIKeyWDZFWOGUEWEXHF-UHFFFAOYSA-N
XLogP1.96
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2,3-dihydro-1-benzofuran-3-yl)hex-5-ynylhydrazine
CID 105262710
[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4,4,4-trifluorobutyl]hydrazine
CID 105224607
1-(3,4-dihydro-1H-isochromen-1-yl)hex-5-ynylhydrazine
CID 105333523
1,2-bis(7-bicyclo[4.2.0]octa-1,3,5-trienyl)ethylhydrazine
CID 105224824
[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-thiophen-3-ylpropyl]hydrazine
CID 105224774
[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-ethoxyethyl]hydrazine
CID 105224705
[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(4-methylphenyl)ethyl]hydrazine
CID 105224803
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-ethylpentan-1-amine
CID 64984207
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-methylundecan-1-amine
CID 64984494
[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(3,4-dimethylphenyl)ethyl]hydrazine
CID 105224757
[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(2,4-dichlorophenyl)ethyl]hydrazine
CID 105224818
4-[2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-hydrazinylethyl]pyridin-2-amine
CID 105224735

Frequently Asked Questions

What is the IUPAC name of 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)hex-5-ynylhydrazine?
The IUPAC name of 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)hex-5-ynylhydrazine (CID 105224756) is 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)hex-5-ynylhydrazine.
What is the SMILES notation for 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)hex-5-ynylhydrazine?
The canonical SMILES for 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)hex-5-ynylhydrazine is C#CCCCC(NN)C1Cc2ccccc21.
What is the InChIKey of 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)hex-5-ynylhydrazine?
The InChIKey is WDZFWOGUEWEXHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-2-3-4-9-14(16-15)13-10-11-7-5-6-8-12(11)13/h1,5-8,13-14,16H,3-4,9-10,15H2.
What are the key properties of 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)hex-5-ynylhydrazine?
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)hex-5-ynylhydrazine has a molecular weight of 214.31 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)hex-5-ynylhydrazine is sourced from PubChem (CID 105224756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).