(E)-3-(ethylamino)-1-thiophen-3-ylprop-2-en-1-one

C9H11NOS — CID 23591192

IUPAC(E)-3-(ethylamino)-1-thiophen-3-ylprop-2-en-1-one
SMILESCCN/C=C/C(=O)c1ccsc1
InChIInChI=1S/C9H11NOS/c1-2-10-5-3-9(11)8-4-6-12-7-8/h3-7,10H,2H2,1H3/b5-3+
InChIKeyVLCVPTYEATVIBX-HWKANZROSA-N
MW181.26 g/mol
LogP2.05
Rot. Bonds4

About (E)-3-(ethylamino)-1-thiophen-3-ylprop-2-en-1-one

(E)-3-(ethylamino)-1-thiophen-3-ylprop-2-en-1-one (PubChem CID 23591192) has the molecular formula C9H11NOS and a molecular weight of 181.26 g/mol. Its IUPAC name is (E)-3-(ethylamino)-1-thiophen-3-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(ethylamino)-1-thiophen-3-ylprop-2-en-1-one
PubChem CID23591192
Molecular FormulaC9H11NOS
Molecular Weight181.26 g/mol
Exact Mass181.06
IUPAC Name(E)-3-(ethylamino)-1-thiophen-3-ylprop-2-en-1-one
SMILESCCN/C=C/C(=O)c1ccsc1
InChIInChI=1S/C9H11NOS/c1-2-10-5-3-9(11)8-4-6-12-7-8/h3-7,10H,2H2,1H3/b5-3+
InChIKeyVLCVPTYEATVIBX-HWKANZROSA-N
XLogP2.05
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.26
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-ethoxy-1-thiophen-3-ylprop-2-en-1-one
CID 76951467
(Z)-3-[4-(dimethylamino)anilino]-1-thiophen-3-ylprop-2-en-1-one
CID 58582608
3-(dimethylamino)-1-thiophen-3-ylbut-2-en-1-one
CID 2764349
2-(thiophene-3-carbonyl)butanamide
CID 90985419
2-bromo-1-thiophen-3-ylbutan-1-one
CID 59598618
(2S)-2-amino-1-thiophen-3-ylbutan-1-one
CID 165468117
(2E,4Z)-5-bromo-4-phenyl-1-thiophen-3-ylhexa-2,4-dien-1-one
CID 137446500
(E)-3-[1-methyl-5-[(E)-prop-1-enyl]pyrrol-2-yl]-1-thiophen-3-ylprop-2-en-1-one
CID 146349834
2-hydroxy-2-methyl-1-thiophen-3-ylbutan-1-one
CID 103446763
N-[2-(thiophene-3-carbonylamino)ethyl]thiophene-3-carboxamide
CID 101004058
ethyl 2-thiophen-3-ylprop-2-enoate
CID 89199275
(E)-3-(2-methylpropylamino)-1-phenylprop-2-en-1-one
CID 23591201

Frequently Asked Questions

What is the IUPAC name of (E)-3-(ethylamino)-1-thiophen-3-ylprop-2-en-1-one?
The IUPAC name of (E)-3-(ethylamino)-1-thiophen-3-ylprop-2-en-1-one (CID 23591192) is (E)-3-(ethylamino)-1-thiophen-3-ylprop-2-en-1-one.
What is the SMILES notation for (E)-3-(ethylamino)-1-thiophen-3-ylprop-2-en-1-one?
The canonical SMILES for (E)-3-(ethylamino)-1-thiophen-3-ylprop-2-en-1-one is CCN/C=C/C(=O)c1ccsc1.
What is the InChIKey of (E)-3-(ethylamino)-1-thiophen-3-ylprop-2-en-1-one?
The InChIKey is VLCVPTYEATVIBX-HWKANZROSA-N. The full InChI is InChI=1S/C9H11NOS/c1-2-10-5-3-9(11)8-4-6-12-7-8/h3-7,10H,2H2,1H3/b5-3+.
What are the key properties of (E)-3-(ethylamino)-1-thiophen-3-ylprop-2-en-1-one?
(E)-3-(ethylamino)-1-thiophen-3-ylprop-2-en-1-one has a molecular weight of 181.26 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(ethylamino)-1-thiophen-3-ylprop-2-en-1-one is sourced from PubChem (CID 23591192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).