2-hydroxy-1-(1-methylpyrrol-2-yl)-2-thiophen-3-ylethanone

C11H11NO2S — CID 10489172

IUPAC2-hydroxy-1-(1-methylpyrrol-2-yl)-2-thiophen-3-ylethanone
SMILESCn1cccc1C(=O)C(O)c1ccsc1
InChIInChI=1S/C11H11NO2S/c1-12-5-2-3-9(12)11(14)10(13)8-4-6-15-7-8/h2-7,10,13H,1H3
InChIKeyUIGRQFYDFPYRSE-UHFFFAOYSA-N
MW221.28 g/mol
LogP2.00
Rot. Bonds3

About 2-hydroxy-1-(1-methylpyrrol-2-yl)-2-thiophen-3-ylethanone

2-hydroxy-1-(1-methylpyrrol-2-yl)-2-thiophen-3-ylethanone (PubChem CID 10489172) has the molecular formula C11H11NO2S and a molecular weight of 221.28 g/mol. Its IUPAC name is 2-hydroxy-1-(1-methylpyrrol-2-yl)-2-thiophen-3-ylethanone.

Molecular Properties

Compound Name2-hydroxy-1-(1-methylpyrrol-2-yl)-2-thiophen-3-ylethanone
PubChem CID10489172
Molecular FormulaC11H11NO2S
Molecular Weight221.28 g/mol
Exact Mass221.05
IUPAC Name2-hydroxy-1-(1-methylpyrrol-2-yl)-2-thiophen-3-ylethanone
SMILESCn1cccc1C(=O)C(O)c1ccsc1
InChIInChI=1S/C11H11NO2S/c1-12-5-2-3-9(12)11(14)10(13)8-4-6-15-7-8/h2-7,10,13H,1H3
InChIKeyUIGRQFYDFPYRSE-UHFFFAOYSA-N
XLogP2.00
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-1,2-bis(1-methylpyrrol-2-yl)ethanone
CID 171976356
2,2-dichloro-1-(1-methylpyrrol-2-yl)ethanone
CID 13217321
1-(1-methylpyrrol-2-yl)-3-thiophen-3-ylpropan-1-one
CID 163213463
(R)-(1-methylpyrrol-2-yl)-thiophen-3-ylmethanamine;hydrochloride
CID 171212595
2-hydroxy-2-indol-1-yl-1-(1-methylpyrrol-2-yl)ethanone
CID 138976918
1-methylpyrrole-2-carbonyl fluoride
CID 119090351
1-methylpyrrole-2-carboxylic acid;hydrochloride
CID 69426436
(1S)-1-thiophen-3-ylethanol
CID 11297979
1-thiophen-3-ylethanol
CID 12744375
2,4-di(thiophen-3-yl)pentan-3-one
CID 67673002
methyl (3R)-3-methyl-4-(1-methylpyrrol-2-yl)-2,4-dioxobutanoate
CID 98169172
(2R)-2-bromo-2-thiophen-3-ylacetic acid
CID 124578230

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-(1-methylpyrrol-2-yl)-2-thiophen-3-ylethanone?
The IUPAC name of 2-hydroxy-1-(1-methylpyrrol-2-yl)-2-thiophen-3-ylethanone (CID 10489172) is 2-hydroxy-1-(1-methylpyrrol-2-yl)-2-thiophen-3-ylethanone.
What is the SMILES notation for 2-hydroxy-1-(1-methylpyrrol-2-yl)-2-thiophen-3-ylethanone?
The canonical SMILES for 2-hydroxy-1-(1-methylpyrrol-2-yl)-2-thiophen-3-ylethanone is Cn1cccc1C(=O)C(O)c1ccsc1.
What is the InChIKey of 2-hydroxy-1-(1-methylpyrrol-2-yl)-2-thiophen-3-ylethanone?
The InChIKey is UIGRQFYDFPYRSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2S/c1-12-5-2-3-9(12)11(14)10(13)8-4-6-15-7-8/h2-7,10,13H,1H3.
What are the key properties of 2-hydroxy-1-(1-methylpyrrol-2-yl)-2-thiophen-3-ylethanone?
2-hydroxy-1-(1-methylpyrrol-2-yl)-2-thiophen-3-ylethanone has a molecular weight of 221.28 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-(1-methylpyrrol-2-yl)-2-thiophen-3-ylethanone is sourced from PubChem (CID 10489172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).