(Z)-2-cyano-3-thiophen-2-ylprop-2-enamide

C8H6N2OS — CID 730849

IUPAC(Z)-2-cyano-3-thiophen-2-ylprop-2-enamide
SMILESN#C/C(=C/c1cccs1)C(N)=O
InChIInChI=1S/C8H6N2OS/c9-5-6(8(10)11)4-7-2-1-3-12-7/h1-4H,(H2,10,11)/b6-4-
InChIKeyBTCIBXVDLXOYIT-XQRVVYSFSA-N
MW178.22 g/mol
LogP1.14
Rot. Bonds2

About (Z)-2-cyano-3-thiophen-2-ylprop-2-enamide

(Z)-2-cyano-3-thiophen-2-ylprop-2-enamide (PubChem CID 730849) has the molecular formula C8H6N2OS and a molecular weight of 178.22 g/mol. Its IUPAC name is (Z)-2-cyano-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-3-thiophen-2-ylprop-2-enamide
PubChem CID730849
Molecular FormulaC8H6N2OS
Molecular Weight178.22 g/mol
Exact Mass178.02
IUPAC Name(Z)-2-cyano-3-thiophen-2-ylprop-2-enamide
SMILESN#C/C(=C/c1cccs1)C(N)=O
InChIInChI=1S/C8H6N2OS/c9-5-6(8(10)11)4-7-2-1-3-12-7/h1-4H,(H2,10,11)/b6-4-
InChIKeyBTCIBXVDLXOYIT-XQRVVYSFSA-N
XLogP1.14
TPSA66.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.22
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of (Z)-2-cyano-3-thiophen-2-ylprop-2-enamide (CID 730849) is (Z)-2-cyano-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for (Z)-2-cyano-3-thiophen-2-ylprop-2-enamide is N#C/C(=C/c1cccs1)C(N)=O.
What is the InChIKey of (Z)-2-cyano-3-thiophen-2-ylprop-2-enamide?
The InChIKey is BTCIBXVDLXOYIT-XQRVVYSFSA-N. The full InChI is InChI=1S/C8H6N2OS/c9-5-6(8(10)11)4-7-2-1-3-12-7/h1-4H,(H2,10,11)/b6-4-.
What are the key properties of (Z)-2-cyano-3-thiophen-2-ylprop-2-enamide?
(Z)-2-cyano-3-thiophen-2-ylprop-2-enamide has a molecular weight of 178.22 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 730849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).