(E)-2-cyano-N-prop-2-enyl-3-thiophen-2-ylprop-2-enamide

C11H10N2OS — CID 2688672

IUPAC(E)-2-cyano-N-prop-2-enyl-3-thiophen-2-ylprop-2-enamide
SMILESC=CCNC(=O)/C(C#N)=C/c1cccs1
InChIInChI=1S/C11H10N2OS/c1-2-5-13-11(14)9(8-12)7-10-4-3-6-15-10/h2-4,6-7H,1,5H2,(H,13,14)/b9-7+
InChIKeyZNLZVSDZHMYYFH-VQHVLOKHSA-N
MW218.28 g/mol
LogP1.96
Rot. Bonds4

About (E)-2-cyano-N-prop-2-enyl-3-thiophen-2-ylprop-2-enamide

(E)-2-cyano-N-prop-2-enyl-3-thiophen-2-ylprop-2-enamide (PubChem CID 2688672) has the molecular formula C11H10N2OS and a molecular weight of 218.28 g/mol. Its IUPAC name is (E)-2-cyano-N-prop-2-enyl-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-N-prop-2-enyl-3-thiophen-2-ylprop-2-enamide
PubChem CID2688672
Molecular FormulaC11H10N2OS
Molecular Weight218.28 g/mol
Exact Mass218.05
IUPAC Name(E)-2-cyano-N-prop-2-enyl-3-thiophen-2-ylprop-2-enamide
SMILESC=CCNC(=O)/C(C#N)=C/c1cccs1
InChIInChI=1S/C11H10N2OS/c1-2-5-13-11(14)9(8-12)7-10-4-3-6-15-10/h2-4,6-7H,1,5H2,(H,13,14)/b9-7+
InChIKeyZNLZVSDZHMYYFH-VQHVLOKHSA-N
XLogP1.96
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-cyano-N-octyl-3-thiophen-2-ylprop-2-enamide
CID 5109316
(E)-N-[(4-chlorophenyl)methyl]-2-cyano-3-thiophen-2-ylprop-2-enamide
CID 17373373
(E)-2-cyano-3-(3-methylthiophen-2-yl)-N-prop-2-enylprop-2-enamide
CID 2132194
2-cyano-3-[3-[2-cyano-3-oxo-3-(prop-2-enylamino)prop-1-enyl]phenyl]-N-prop-2-enylprop-2-enamide
CID 5199561
(E)-2-cyano-N-[[(E)-2-cyano-3-thiophen-2-ylprop-2-enoyl]carbamothioyl]-3-thiophen-2-ylprop-2-enamide
CID 10739641
2-cyano-N-(hydroxyiminomethyl)-3-thiophen-2-ylprop-2-enamide
CID 135428328
(E)-2-cyano-N-(2-morpholin-4-ium-4-ylethyl)-3-thiophen-2-ylprop-2-enamide
CID 2135288
(E)-2-cyano-3-thiophen-2-ylprop-2-enoyl chloride
CID 15335281
(E)-2-cyano-N-(1,3-thiazol-2-yl)-3-thiophen-2-ylprop-2-enamide
CID 2362469
methyl (E)-2-cyano-3-thiophen-2-ylprop-2-enoate
CID 968615
2-cyano-N-naphthalen-1-yl-3-thiophen-2-ylprop-2-enamide
CID 958150
(E)-2-cyano-N-(4-ethoxyphenyl)-3-thiophen-2-ylprop-2-enamide
CID 19171872

Frequently Asked Questions

What is the IUPAC name of (E)-2-cyano-N-prop-2-enyl-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of (E)-2-cyano-N-prop-2-enyl-3-thiophen-2-ylprop-2-enamide (CID 2688672) is (E)-2-cyano-N-prop-2-enyl-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for (E)-2-cyano-N-prop-2-enyl-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for (E)-2-cyano-N-prop-2-enyl-3-thiophen-2-ylprop-2-enamide is C=CCNC(=O)/C(C#N)=C/c1cccs1.
What is the InChIKey of (E)-2-cyano-N-prop-2-enyl-3-thiophen-2-ylprop-2-enamide?
The InChIKey is ZNLZVSDZHMYYFH-VQHVLOKHSA-N. The full InChI is InChI=1S/C11H10N2OS/c1-2-5-13-11(14)9(8-12)7-10-4-3-6-15-10/h2-4,6-7H,1,5H2,(H,13,14)/b9-7+.
What are the key properties of (E)-2-cyano-N-prop-2-enyl-3-thiophen-2-ylprop-2-enamide?
(E)-2-cyano-N-prop-2-enyl-3-thiophen-2-ylprop-2-enamide has a molecular weight of 218.28 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-N-prop-2-enyl-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 2688672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).