[[(1E)-cycloocten-1-yl]-thiophen-3-ylmethyl]hydrazine

C13H20N2S — CID 106648587

IUPAC[[(1E)-cycloocten-1-yl]-thiophen-3-ylmethyl]hydrazine
SMILESNNC(/C1=C/CCCCCC1)c1ccsc1
InChIInChI=1S/C13H20N2S/c14-15-13(12-8-9-16-10-12)11-6-4-2-1-3-5-7-11/h6,8-10,13,15H,1-5,7,14H2/b11-6+
InChIKeyWZLRSLNPZOMNTK-IZZDOVSWSA-N
MW236.38 g/mol
LogP3.53
Rot. Bonds3

About [[(1E)-cycloocten-1-yl]-thiophen-3-ylmethyl]hydrazine

[[(1E)-cycloocten-1-yl]-thiophen-3-ylmethyl]hydrazine (PubChem CID 106648587) has the molecular formula C13H20N2S and a molecular weight of 236.38 g/mol. Its IUPAC name is [[(1E)-cycloocten-1-yl]-thiophen-3-ylmethyl]hydrazine.

Molecular Properties

Compound Name[[(1E)-cycloocten-1-yl]-thiophen-3-ylmethyl]hydrazine
PubChem CID106648587
Molecular FormulaC13H20N2S
Molecular Weight236.38 g/mol
Exact Mass236.13
IUPAC Name[[(1E)-cycloocten-1-yl]-thiophen-3-ylmethyl]hydrazine
SMILESNNC(/C1=C/CCCCCC1)c1ccsc1
InChIInChI=1S/C13H20N2S/c14-15-13(12-8-9-16-10-12)11-6-4-2-1-3-5-7-11/h6,8-10,13,15H,1-5,7,14H2/b11-6+
InChIKeyWZLRSLNPZOMNTK-IZZDOVSWSA-N
XLogP3.53
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(3-chlorothiophen-2-yl)-(cyclohepten-1-yl)methyl]hydrazine
CID 106650182
[cyclohepten-1-yl-(4-ethylphenyl)methyl]hydrazine
CID 106648595
[cyclohepten-1-yl-(3-methylphenyl)methyl]hydrazine
CID 106648636
[1-(cyclohexen-1-yl)-2-thiophen-3-ylethyl]hydrazine
CID 106650433
[(3-chlorophenyl)-(cyclohepten-1-yl)methyl]hydrazine
CID 106648562
[cyclohepten-1-yl(naphthalen-2-yl)methyl]hydrazine
CID 106648805
[cyclohexen-1-yl-(3,4-dimethylphenyl)methyl]hydrazine
CID 106650598
[cyclohexen-1-yl(1,3-thiazol-4-yl)methyl]hydrazine
CID 106649352
[[(1E)-cycloocten-1-yl]-[4-(difluoromethoxy)phenyl]methyl]hydrazine
CID 106650017
[(6-chloro-3-pyridinyl)-(cyclohexen-1-yl)methyl]hydrazine
CID 106649336
[(4-chloro-3-methylphenyl)-[(1E)-cycloocten-1-yl]methyl]hydrazine
CID 106650026
[[(1E)-cycloocten-1-yl]-(3-ethylthiophen-2-yl)methyl]hydrazine
CID 106650067

Frequently Asked Questions

What is the IUPAC name of [[(1E)-cycloocten-1-yl]-thiophen-3-ylmethyl]hydrazine?
The IUPAC name of [[(1E)-cycloocten-1-yl]-thiophen-3-ylmethyl]hydrazine (CID 106648587) is [[(1E)-cycloocten-1-yl]-thiophen-3-ylmethyl]hydrazine.
What is the SMILES notation for [[(1E)-cycloocten-1-yl]-thiophen-3-ylmethyl]hydrazine?
The canonical SMILES for [[(1E)-cycloocten-1-yl]-thiophen-3-ylmethyl]hydrazine is NNC(/C1=C/CCCCCC1)c1ccsc1.
What is the InChIKey of [[(1E)-cycloocten-1-yl]-thiophen-3-ylmethyl]hydrazine?
The InChIKey is WZLRSLNPZOMNTK-IZZDOVSWSA-N. The full InChI is InChI=1S/C13H20N2S/c14-15-13(12-8-9-16-10-12)11-6-4-2-1-3-5-7-11/h6,8-10,13,15H,1-5,7,14H2/b11-6+.
What are the key properties of [[(1E)-cycloocten-1-yl]-thiophen-3-ylmethyl]hydrazine?
[[(1E)-cycloocten-1-yl]-thiophen-3-ylmethyl]hydrazine has a molecular weight of 236.38 g/mol, XLogP of 3.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [[(1E)-cycloocten-1-yl]-thiophen-3-ylmethyl]hydrazine is sourced from PubChem (CID 106648587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).