[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2-methylthiophen-3-yl)methyl]hydrazine

C14H16N2S — CID 102842792

IUPAC[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2-methylthiophen-3-yl)methyl]hydrazine
SMILESCc1sccc1C(NN)C1Cc2ccccc21
InChIInChI=1S/C14H16N2S/c1-9-11(6-7-17-9)14(16-15)13-8-10-4-2-3-5-12(10)13/h2-7,13-14,16H,8,15H2,1H3
InChIKeyGFFXCDYSKDQPEM-UHFFFAOYSA-N
MW244.36 g/mol
LogP2.90
Rot. Bonds3

About [7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2-methylthiophen-3-yl)methyl]hydrazine

[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2-methylthiophen-3-yl)methyl]hydrazine (PubChem CID 102842792) has the molecular formula C14H16N2S and a molecular weight of 244.36 g/mol. Its IUPAC name is [7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2-methylthiophen-3-yl)methyl]hydrazine.

Molecular Properties

Compound Name[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2-methylthiophen-3-yl)methyl]hydrazine
PubChem CID102842792
Molecular FormulaC14H16N2S
Molecular Weight244.36 g/mol
Exact Mass244.10
IUPAC Name[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2-methylthiophen-3-yl)methyl]hydrazine
SMILESCc1sccc1C(NN)C1Cc2ccccc21
InChIInChI=1S/C14H16N2S/c1-9-11(6-7-17-9)14(16-15)13-8-10-4-2-3-5-12(10)13/h2-7,13-14,16H,8,15H2,1H3
InChIKeyGFFXCDYSKDQPEM-UHFFFAOYSA-N
XLogP2.90
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 52.90
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

[(2-methylthiophen-3-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methyl]hydrazine
CID 102842760
[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2-fluoro-5-methylphenyl)methyl]hydrazine
CID 105224652
3-[7-bicyclo[4.2.0]octa-1,3,5-trienyl(hydrazinyl)methyl]pyridin-2-amine
CID 105224736
[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2-chloro-5-fluorophenyl)methyl]hydrazine
CID 105397832
[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2,6-difluorophenyl)methyl]hydrazine
CID 105224671
[(4-methylthiomorpholin-3-yl)-(2-methylthiophen-3-yl)methyl]hydrazine
CID 106446271
[7-bicyclo[4.2.0]octa-1,3,5-trienyl(quinolin-5-yl)methyl]hydrazine
CID 105224816
[2,3-dihydro-1H-inden-1-yl-(2,4,5-trimethylphenyl)methyl]hydrazine
CID 105234484
[(2,3-difluoro-4-methylphenyl)-(2,3-dihydro-1H-inden-1-yl)methyl]hydrazine
CID 107516416
[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]hydrazine
CID 105224737
[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(7-methyl-1-benzofuran-2-yl)methyl]hydrazine
CID 105224637
N-[7-bicyclo[4.2.0]octa-1,3,5-trienyl(thiophen-2-yl)methyl]ethanamine
CID 64984504

Frequently Asked Questions

What is the IUPAC name of [7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2-methylthiophen-3-yl)methyl]hydrazine?
The IUPAC name of [7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2-methylthiophen-3-yl)methyl]hydrazine (CID 102842792) is [7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2-methylthiophen-3-yl)methyl]hydrazine.
What is the SMILES notation for [7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2-methylthiophen-3-yl)methyl]hydrazine?
The canonical SMILES for [7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2-methylthiophen-3-yl)methyl]hydrazine is Cc1sccc1C(NN)C1Cc2ccccc21.
What is the InChIKey of [7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2-methylthiophen-3-yl)methyl]hydrazine?
The InChIKey is GFFXCDYSKDQPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2S/c1-9-11(6-7-17-9)14(16-15)13-8-10-4-2-3-5-12(10)13/h2-7,13-14,16H,8,15H2,1H3.
What are the key properties of [7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2-methylthiophen-3-yl)methyl]hydrazine?
[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2-methylthiophen-3-yl)methyl]hydrazine has a molecular weight of 244.36 g/mol, XLogP of 2.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2-methylthiophen-3-yl)methyl]hydrazine is sourced from PubChem (CID 102842792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).