[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-thiophen-3-ylpropyl]hydrazine

C15H18N2S — CID 105224774

IUPAC[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-thiophen-3-ylpropyl]hydrazine
SMILESNNC(CCc1ccsc1)C1Cc2ccccc21
InChIInChI=1S/C15H18N2S/c16-17-15(6-5-11-7-8-18-10-11)14-9-12-3-1-2-4-13(12)14/h1-4,7-8,10,14-15,17H,5-6,9,16H2
InChIKeyHTHVSYZJNRCKMR-UHFFFAOYSA-N
MW258.39 g/mol
LogP2.85
Rot. Bonds5

About [1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-thiophen-3-ylpropyl]hydrazine

[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-thiophen-3-ylpropyl]hydrazine (PubChem CID 105224774) has the molecular formula C15H18N2S and a molecular weight of 258.39 g/mol. Its IUPAC name is [1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-thiophen-3-ylpropyl]hydrazine.

Molecular Properties

Compound Name[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-thiophen-3-ylpropyl]hydrazine
PubChem CID105224774
Molecular FormulaC15H18N2S
Molecular Weight258.39 g/mol
Exact Mass258.12
IUPAC Name[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-thiophen-3-ylpropyl]hydrazine
SMILESNNC(CCc1ccsc1)C1Cc2ccccc21
InChIInChI=1S/C15H18N2S/c16-17-15(6-5-11-7-8-18-10-11)14-9-12-3-1-2-4-13(12)14/h1-4,7-8,10,14-15,17H,5-6,9,16H2
InChIKeyHTHVSYZJNRCKMR-UHFFFAOYSA-N
XLogP2.85
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[1-(2,3-dihydro-1-benzofuran-2-yl)-3-thiophen-3-ylpropyl]hydrazine
CID 105262963
[1-(1,2,3,4-tetrahydronaphthalen-2-yl)-3-thiophen-3-ylpropyl]hydrazine
CID 105234665
[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4,4,4-trifluorobutyl]hydrazine
CID 105224607
1-(2,3-dihydro-1H-inden-2-yl)-3-thiophen-3-ylpropan-1-amine
CID 65409928
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)hex-5-ynylhydrazine
CID 105224756
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)-2-(4-methylphenyl)ethyl]hydrazine
CID 105224803
1-cyclopropyl-N-methyl-3-thiophen-3-ylpropan-1-amine
CID 63354899
[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-ethoxyethyl]hydrazine
CID 105224705
[1-(1,4-oxathian-2-yl)-3-thiophen-3-ylpropyl]hydrazine
CID 105249682
[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]hydrazine
CID 105224737
1,4-di(thiophen-3-yl)butan-2-ylhydrazine
CID 105306843

Frequently Asked Questions

What is the IUPAC name of [1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-thiophen-3-ylpropyl]hydrazine?
The IUPAC name of [1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-thiophen-3-ylpropyl]hydrazine (CID 105224774) is [1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-thiophen-3-ylpropyl]hydrazine.
What is the SMILES notation for [1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-thiophen-3-ylpropyl]hydrazine?
The canonical SMILES for [1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-thiophen-3-ylpropyl]hydrazine is NNC(CCc1ccsc1)C1Cc2ccccc21.
What is the InChIKey of [1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-thiophen-3-ylpropyl]hydrazine?
The InChIKey is HTHVSYZJNRCKMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2S/c16-17-15(6-5-11-7-8-18-10-11)14-9-12-3-1-2-4-13(12)14/h1-4,7-8,10,14-15,17H,5-6,9,16H2.
What are the key properties of [1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-thiophen-3-ylpropyl]hydrazine?
[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-thiophen-3-ylpropyl]hydrazine has a molecular weight of 258.39 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-thiophen-3-ylpropyl]hydrazine is sourced from PubChem (CID 105224774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).