3-thiophen-2-ylprop-2-enehydrazide

C7H8N2OS — CID 3672333

IUPAC3-thiophen-2-ylprop-2-enehydrazide
SMILESNNC(=O)C=Cc1cccs1
InChIInChI=1S/C7H8N2OS/c8-9-7(10)4-3-6-2-1-5-11-6/h1-5H,8H2,(H,9,10)
InChIKeyJSIIFHBPPQDDGK-UHFFFAOYSA-N
MW168.22 g/mol
LogP0.75
Rot. Bonds2

About 3-thiophen-2-ylprop-2-enehydrazide

3-thiophen-2-ylprop-2-enehydrazide (PubChem CID 3672333) has the molecular formula C7H8N2OS and a molecular weight of 168.22 g/mol. Its IUPAC name is 3-thiophen-2-ylprop-2-enehydrazide.

Molecular Properties

Compound Name3-thiophen-2-ylprop-2-enehydrazide
PubChem CID3672333
Molecular FormulaC7H8N2OS
Molecular Weight168.22 g/mol
Exact Mass168.04
IUPAC Name3-thiophen-2-ylprop-2-enehydrazide
SMILESNNC(=O)C=Cc1cccs1
InChIInChI=1S/C7H8N2OS/c8-9-7(10)4-3-6-2-1-5-11-6/h1-5H,8H2,(H,9,10)
InChIKeyJSIIFHBPPQDDGK-UHFFFAOYSA-N
XLogP0.75
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.22
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-thiophen-2-ylprop-2-enehydrazide?
The IUPAC name of 3-thiophen-2-ylprop-2-enehydrazide (CID 3672333) is 3-thiophen-2-ylprop-2-enehydrazide.
What is the SMILES notation for 3-thiophen-2-ylprop-2-enehydrazide?
The canonical SMILES for 3-thiophen-2-ylprop-2-enehydrazide is NNC(=O)C=Cc1cccs1.
What is the InChIKey of 3-thiophen-2-ylprop-2-enehydrazide?
The InChIKey is JSIIFHBPPQDDGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2OS/c8-9-7(10)4-3-6-2-1-5-11-6/h1-5H,8H2,(H,9,10).
What are the key properties of 3-thiophen-2-ylprop-2-enehydrazide?
3-thiophen-2-ylprop-2-enehydrazide has a molecular weight of 168.22 g/mol, XLogP of 0.75, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-thiophen-2-ylprop-2-enehydrazide is sourced from PubChem (CID 3672333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).