N-[(E)-1-thiophen-2-ylprop-1-enyl]acetamide

C9H11NOS — CID 11041342

IUPACN-[(E)-1-thiophen-2-ylprop-1-enyl]acetamide
SMILESC/C=C(/NC(C)=O)c1cccs1
InChIInChI=1S/C9H11NOS/c1-3-8(10-7(2)11)9-5-4-6-12-9/h3-6H,1-2H3,(H,10,11)/b8-3+
InChIKeyQGBAPCGBFVTXJC-FPYGCLRLSA-N
MW181.26 g/mol
LogP2.24
Rot. Bonds2

About N-[(E)-1-thiophen-2-ylprop-1-enyl]acetamide

N-[(E)-1-thiophen-2-ylprop-1-enyl]acetamide (PubChem CID 11041342) has the molecular formula C9H11NOS and a molecular weight of 181.26 g/mol. Its IUPAC name is N-[(E)-1-thiophen-2-ylprop-1-enyl]acetamide.

Molecular Properties

Compound NameN-[(E)-1-thiophen-2-ylprop-1-enyl]acetamide
PubChem CID11041342
Molecular FormulaC9H11NOS
Molecular Weight181.26 g/mol
Exact Mass181.06
IUPAC NameN-[(E)-1-thiophen-2-ylprop-1-enyl]acetamide
SMILESC/C=C(/NC(C)=O)c1cccs1
InChIInChI=1S/C9H11NOS/c1-3-8(10-7(2)11)9-5-4-6-12-9/h3-6H,1-2H3,(H,10,11)/b8-3+
InChIKeyQGBAPCGBFVTXJC-FPYGCLRLSA-N
XLogP2.24
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.26
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(Z,3S)-3-(1,3-dioxan-2-yl)-3-hydroxy-1-thiophen-2-ylprop-1-enyl]acetamide
CID 155933351
(E)-1-thiophen-2-ylbut-2-en-1-one
CID 5385859
2-(1-thiophen-2-ylprop-1-enyl)thiophene
CID 154192160
1-thiophen-2-ylprop-1-en-1-ol
CID 68622229
N-formylthiophene-2-carboxamide
CID 2771336
2,3-dimethyl-1-thiophen-2-ylbut-2-en-1-one
CID 131801030
(Z)-3-amino-1-thiophen-2-ylbut-2-en-1-one
CID 59145780
4-oxo-3-thiophen-2-ylpent-2-enal
CID 174361029
3-acetyl-1-thiophen-2-ylpent-2-ene-1,4-dione
CID 178078508
N-[2-(thiophene-2-carbonyl)phenyl]acetamide
CID 18987253
2-oxo-2-thiophen-2-ylacetaldehyde
CID 5272214
(Z)-2-thiophen-2-ylprop-1-en-1-amine
CID 89332768

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-thiophen-2-ylprop-1-enyl]acetamide?
The IUPAC name of N-[(E)-1-thiophen-2-ylprop-1-enyl]acetamide (CID 11041342) is N-[(E)-1-thiophen-2-ylprop-1-enyl]acetamide.
What is the SMILES notation for N-[(E)-1-thiophen-2-ylprop-1-enyl]acetamide?
The canonical SMILES for N-[(E)-1-thiophen-2-ylprop-1-enyl]acetamide is C/C=C(/NC(C)=O)c1cccs1.
What is the InChIKey of N-[(E)-1-thiophen-2-ylprop-1-enyl]acetamide?
The InChIKey is QGBAPCGBFVTXJC-FPYGCLRLSA-N. The full InChI is InChI=1S/C9H11NOS/c1-3-8(10-7(2)11)9-5-4-6-12-9/h3-6H,1-2H3,(H,10,11)/b8-3+.
What are the key properties of N-[(E)-1-thiophen-2-ylprop-1-enyl]acetamide?
N-[(E)-1-thiophen-2-ylprop-1-enyl]acetamide has a molecular weight of 181.26 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-thiophen-2-ylprop-1-enyl]acetamide is sourced from PubChem (CID 11041342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).