(E)-3-thiophen-2-ylprop-2-enamide

C7H7NOS — CID 5399085

IUPAC(E)-3-thiophen-2-ylprop-2-enamide
SMILESNC(=O)/C=C/c1cccs1
InChIInChI=1S/C7H7NOS/c8-7(9)4-3-6-2-1-5-10-6/h1-5H,(H2,8,9)/b4-3+
InChIKeyAEKLLKXWNJVXKT-ONEGZZNKSA-N
MW153.21 g/mol
LogP1.25
Rot. Bonds2

About (E)-3-thiophen-2-ylprop-2-enamide

(E)-3-thiophen-2-ylprop-2-enamide (PubChem CID 5399085) has the molecular formula C7H7NOS and a molecular weight of 153.21 g/mol. Its IUPAC name is (E)-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-thiophen-2-ylprop-2-enamide
PubChem CID5399085
Molecular FormulaC7H7NOS
Molecular Weight153.21 g/mol
Exact Mass153.02
IUPAC Name(E)-3-thiophen-2-ylprop-2-enamide
SMILESNC(=O)/C=C/c1cccs1
InChIInChI=1S/C7H7NOS/c8-7(9)4-3-6-2-1-5-10-6/h1-5H,(H2,8,9)/b4-3+
InChIKeyAEKLLKXWNJVXKT-ONEGZZNKSA-N
XLogP1.25
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.21
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Thiophenecarboxamide
CID 22063
(5Z)-5-(2-Thienylmethylene)-2-thioxo-4-thiazolidinone
CID 1241133
5-(2-Thienylmethylene)rhodanine
CID 2796945
(E)-N-tert-butyl-3-thiophen-2-ylprop-2-enamide
CID 2405120
2-Cyano-3-(thiophen-2-yl)prop-2-enamide
CID 2806450
(5E)-5-(2-Thienylmethylene)-2-thioxo-4-thiazolidinone
CID 1241132
(E)-N-prop-2-enyl-3-thiophen-2-ylprop-2-enamide
CID 2413117
2-(allylsulfanyl)-5-(2-thienylmethylene)-1,3-thiazol-4(5H)-one
CID 1803359
(5Z)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 1421105
(E)-N-(2-methylbutan-2-yl)-3-thiophen-2-ylprop-2-enamide
CID 2388133
(2E)-2-cyano-3-(thiophen-2-yl)prop-2-enamide
CID 730848
(E)-N-ethyl-3-thiophen-2-ylprop-2-enamide
CID 5898676

Frequently Asked Questions

What is the IUPAC name of (E)-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of (E)-3-thiophen-2-ylprop-2-enamide (CID 5399085) is (E)-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for (E)-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for (E)-3-thiophen-2-ylprop-2-enamide is NC(=O)/C=C/c1cccs1.
What is the InChIKey of (E)-3-thiophen-2-ylprop-2-enamide?
The InChIKey is AEKLLKXWNJVXKT-ONEGZZNKSA-N. The full InChI is InChI=1S/C7H7NOS/c8-7(9)4-3-6-2-1-5-10-6/h1-5H,(H2,8,9)/b4-3+.
What are the key properties of (E)-3-thiophen-2-ylprop-2-enamide?
(E)-3-thiophen-2-ylprop-2-enamide has a molecular weight of 153.21 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 5399085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).