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

C14H14Cl2N2S — CID 114022357

IUPAC[2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(2,5-dichlorothiophen-3-yl)ethyl]hydrazine
SMILESNNC(CC1Cc2ccccc21)c1cc(Cl)sc1Cl
InChIInChI=1S/C14H14Cl2N2S/c15-13-7-11(14(16)19-13)12(18-17)6-9-5-8-3-1-2-4-10(8)9/h1-4,7,9,12,18H,5-6,17H2
InChIKeyLONDBUJYNVGPIA-UHFFFAOYSA-N
MW313.25 g/mol
LogP4.29
Rot. Bonds4

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

[2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(2,5-dichlorothiophen-3-yl)ethyl]hydrazine (PubChem CID 114022357) has the molecular formula C14H14Cl2N2S and a molecular weight of 313.25 g/mol. Its IUPAC name is [2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(2,5-dichlorothiophen-3-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(2,5-dichlorothiophen-3-yl)ethyl]hydrazine
PubChem CID114022357
Molecular FormulaC14H14Cl2N2S
Molecular Weight313.25 g/mol
Exact Mass312.03
IUPAC Name[2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(2,5-dichlorothiophen-3-yl)ethyl]hydrazine
SMILESNNC(CC1Cc2ccccc21)c1cc(Cl)sc1Cl
InChIInChI=1S/C14H14Cl2N2S/c15-13-7-11(14(16)19-13)12(18-17)6-9-5-8-3-1-2-4-10(8)9/h1-4,7,9,12,18H,5-6,17H2
InChIKeyLONDBUJYNVGPIA-UHFFFAOYSA-N
XLogP4.29
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.25
LogP ≤ 54.29
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-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(3,4-dichlorophenyl)ethyl]hydrazine
CID 105257179
[2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(2,4-dimethylphenyl)ethyl]hydrazine
CID 105319301
2-[2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-hydrazinylethyl]-4-bromoaniline
CID 105263584
7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2,5-dichlorothiophen-3-yl)methanamine
CID 66395525
[2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(3,5-dibromophenyl)ethyl]hydrazine
CID 107979238
[2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(3,5-dimethylphenyl)ethyl]hydrazine
CID 105319368
[2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-pyrimidin-2-ylethyl]hydrazine
CID 105203771
[2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(4-methyl-2-pyridinyl)ethyl]hydrazine
CID 105220072
[2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(5-methylfuran-2-yl)ethyl]hydrazine
CID 105319371
[2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(3-bromothiophen-2-yl)ethyl]hydrazine
CID 105319376
[2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-pyrazolo[1,5-a]pyridin-3-ylethyl]hydrazine
CID 103129783
1,2-bis(7-bicyclo[4.2.0]octa-1,3,5-trienyl)ethylhydrazine
CID 105224824

Frequently Asked Questions

What is the IUPAC name of [2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(2,5-dichlorothiophen-3-yl)ethyl]hydrazine?
The IUPAC name of [2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(2,5-dichlorothiophen-3-yl)ethyl]hydrazine (CID 114022357) is [2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(2,5-dichlorothiophen-3-yl)ethyl]hydrazine.
What is the SMILES notation for [2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(2,5-dichlorothiophen-3-yl)ethyl]hydrazine?
The canonical SMILES for [2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(2,5-dichlorothiophen-3-yl)ethyl]hydrazine is NNC(CC1Cc2ccccc21)c1cc(Cl)sc1Cl.
What is the InChIKey of [2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(2,5-dichlorothiophen-3-yl)ethyl]hydrazine?
The InChIKey is LONDBUJYNVGPIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2S/c15-13-7-11(14(16)19-13)12(18-17)6-9-5-8-3-1-2-4-10(8)9/h1-4,7,9,12,18H,5-6,17H2.
What are the key properties of [2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(2,5-dichlorothiophen-3-yl)ethyl]hydrazine?
[2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(2,5-dichlorothiophen-3-yl)ethyl]hydrazine has a molecular weight of 313.25 g/mol, XLogP of 4.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(2,5-dichlorothiophen-3-yl)ethyl]hydrazine is sourced from PubChem (CID 114022357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).