2-hydroxy-1-(1-thiophen-2-ylcyclopropyl)ethanone

C9H10O2S — CID 46913895

IUPAC2-hydroxy-1-(1-thiophen-2-ylcyclopropyl)ethanone
SMILESO=C(CO)C1(c2cccs2)CC1
InChIInChI=1S/C9H10O2S/c10-6-7(11)9(3-4-9)8-2-1-5-12-8/h1-2,5,10H,3-4,6H2
InChIKeyQPRFPNUORRZYFU-UHFFFAOYSA-N
MW182.24 g/mol
LogP1.34
Rot. Bonds3

About 2-hydroxy-1-(1-thiophen-2-ylcyclopropyl)ethanone

2-hydroxy-1-(1-thiophen-2-ylcyclopropyl)ethanone (PubChem CID 46913895) has the molecular formula C9H10O2S and a molecular weight of 182.24 g/mol. Its IUPAC name is 2-hydroxy-1-(1-thiophen-2-ylcyclopropyl)ethanone.

Molecular Properties

Compound Name2-hydroxy-1-(1-thiophen-2-ylcyclopropyl)ethanone
PubChem CID46913895
Molecular FormulaC9H10O2S
Molecular Weight182.24 g/mol
Exact Mass182.04
IUPAC Name2-hydroxy-1-(1-thiophen-2-ylcyclopropyl)ethanone
SMILESO=C(CO)C1(c2cccs2)CC1
InChIInChI=1S/C9H10O2S/c10-6-7(11)9(3-4-9)8-2-1-5-12-8/h1-2,5,10H,3-4,6H2
InChIKeyQPRFPNUORRZYFU-UHFFFAOYSA-N
XLogP1.34
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.24
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-1-(1-thiophen-2-ylcyclopentyl)ethanone
CID 131564842
N,N-diethyl-1-thiophen-2-ylcyclopropane-1-carboxamide
CID 110698462
1-thiophen-2-ylcyclopropane-1-carbothioamide
CID 112707006
azepan-1-yl-(1-thiophen-2-ylcyclopropyl)methanone
CID 30944629
N',N'-dimethyl-1-thiophen-2-ylcyclopropane-1-carbohydrazide
CID 116848288
N-butyl-N-methyl-1-thiophen-2-ylcyclopropane-1-carboxamide
CID 110698469
N-pyrimidin-2-yl-1-thiophen-2-ylcyclopropane-1-carboxamide
CID 110698477
morpholin-4-yl-(1-thiophen-2-ylcyclopropyl)methanone
CID 30944617
4-hydroxy-1-thiophen-2-ylcyclohexane-1-carboxylic acid
CID 83709599
(1-thiophen-2-ylcyclobutyl)methanol
CID 83682682
N-[3-(dimethylamino)propyl]-1-thiophen-2-ylcyclopropane-1-carboxamide
CID 110698443
N-(4-acetylphenyl)-1-thiophen-2-ylcyclopropane-1-carboxamide
CID 110698475

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-(1-thiophen-2-ylcyclopropyl)ethanone?
The IUPAC name of 2-hydroxy-1-(1-thiophen-2-ylcyclopropyl)ethanone (CID 46913895) is 2-hydroxy-1-(1-thiophen-2-ylcyclopropyl)ethanone.
What is the SMILES notation for 2-hydroxy-1-(1-thiophen-2-ylcyclopropyl)ethanone?
The canonical SMILES for 2-hydroxy-1-(1-thiophen-2-ylcyclopropyl)ethanone is O=C(CO)C1(c2cccs2)CC1.
What is the InChIKey of 2-hydroxy-1-(1-thiophen-2-ylcyclopropyl)ethanone?
The InChIKey is QPRFPNUORRZYFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2S/c10-6-7(11)9(3-4-9)8-2-1-5-12-8/h1-2,5,10H,3-4,6H2.
What are the key properties of 2-hydroxy-1-(1-thiophen-2-ylcyclopropyl)ethanone?
2-hydroxy-1-(1-thiophen-2-ylcyclopropyl)ethanone has a molecular weight of 182.24 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-(1-thiophen-2-ylcyclopropyl)ethanone is sourced from PubChem (CID 46913895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).