3-(1H-pyrrol-2-yl)-1-thiophen-2-ylprop-2-en-1-one

C11H9NOS — CID 85444355

IUPAC3-(1H-pyrrol-2-yl)-1-thiophen-2-ylprop-2-en-1-one
SMILESO=C(C=Cc1ccc[nH]1)c1cccs1
InChIInChI=1S/C11H9NOS/c13-10(11-4-2-8-14-11)6-5-9-3-1-7-12-9/h1-8,12H
InChIKeyJSEWKHKZMGWFPZ-UHFFFAOYSA-N
MW203.27 g/mol
LogP2.97
Rot. Bonds3

About 3-(1H-pyrrol-2-yl)-1-thiophen-2-ylprop-2-en-1-one

3-(1H-pyrrol-2-yl)-1-thiophen-2-ylprop-2-en-1-one (PubChem CID 85444355) has the molecular formula C11H9NOS and a molecular weight of 203.27 g/mol. Its IUPAC name is 3-(1H-pyrrol-2-yl)-1-thiophen-2-ylprop-2-en-1-one.

Molecular Properties

Compound Name3-(1H-pyrrol-2-yl)-1-thiophen-2-ylprop-2-en-1-one
PubChem CID85444355
Molecular FormulaC11H9NOS
Molecular Weight203.27 g/mol
Exact Mass203.04
IUPAC Name3-(1H-pyrrol-2-yl)-1-thiophen-2-ylprop-2-en-1-one
SMILESO=C(C=Cc1ccc[nH]1)c1cccs1
InChIInChI=1S/C11H9NOS/c13-10(11-4-2-8-14-11)6-5-9-3-1-7-12-9/h1-8,12H
InChIKeyJSEWKHKZMGWFPZ-UHFFFAOYSA-N
XLogP2.97
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.27
LogP ≤ 52.97
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

N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]thiophene-2-carboxamide
CID 6880392
N-(pyridin-2-ylmethyl)thiophene-2-carboxamide
CID 668938
(E)-1-Pyridin-2-yl-3-thiophen-2-yl-propenone
CID 6244095
2-(4-methylphenyl)sulfanyl-1-(1H-pyrrol-2-yl)ethanone
CID 2573509
N-[(E)-1-[2-(diethylamino)ethylcarbamoyl]-2-(1-methylpyrrol-2-yl)vinyl]thiophene-2-carboxamide
CID 5771244
Thiophene-2-carboxylic acid [1-(3-diethylamino-propylcarbamoyl)-2-(1-methyl-1H-pyrrol-2-yl)-vinyl]-amide
CID 5771246
(E)-3-(1H-indol-3-yl)-1-thiophen-2-ylprop-2-en-1-one
CID 5760357
Hdac-IN-62
CID 146347158
Thiophene, 2-(2-pyrrolyl)-
CID 142950
1-[(thiophen-2-yl)methyl]-1H-pyrrole-2-carbaldehyde
CID 11137952
N-ethyl-3-(1H-pyrrol-1-yl)-2-thiophenecarboxamide
CID 5096643
N-[(E)-thiophen-2-ylmethylideneamino]-1H-pyrrole-2-carboxamide
CID 9778322

Frequently Asked Questions

What is the IUPAC name of 3-(1H-pyrrol-2-yl)-1-thiophen-2-ylprop-2-en-1-one?
The IUPAC name of 3-(1H-pyrrol-2-yl)-1-thiophen-2-ylprop-2-en-1-one (CID 85444355) is 3-(1H-pyrrol-2-yl)-1-thiophen-2-ylprop-2-en-1-one.
What is the SMILES notation for 3-(1H-pyrrol-2-yl)-1-thiophen-2-ylprop-2-en-1-one?
The canonical SMILES for 3-(1H-pyrrol-2-yl)-1-thiophen-2-ylprop-2-en-1-one is O=C(C=Cc1ccc[nH]1)c1cccs1.
What is the InChIKey of 3-(1H-pyrrol-2-yl)-1-thiophen-2-ylprop-2-en-1-one?
The InChIKey is JSEWKHKZMGWFPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NOS/c13-10(11-4-2-8-14-11)6-5-9-3-1-7-12-9/h1-8,12H.
What are the key properties of 3-(1H-pyrrol-2-yl)-1-thiophen-2-ylprop-2-en-1-one?
3-(1H-pyrrol-2-yl)-1-thiophen-2-ylprop-2-en-1-one has a molecular weight of 203.27 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-pyrrol-2-yl)-1-thiophen-2-ylprop-2-en-1-one is sourced from PubChem (CID 85444355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).