1-pyrrol-1-yl-2-thiophen-2-ylethane-1,2-dione

C10H7NO2S — CID 174641715

IUPAC1-pyrrol-1-yl-2-thiophen-2-ylethane-1,2-dione
SMILESO=C(C(=O)n1cccc1)c1cccs1
InChIInChI=1S/C10H7NO2S/c12-9(8-4-3-7-14-8)10(13)11-5-1-2-6-11/h1-7H
InChIKeyLIBCUIRLKHFLHQ-UHFFFAOYSA-N
MW205.24 g/mol
LogP2.07
Rot. Bonds2

About 1-pyrrol-1-yl-2-thiophen-2-ylethane-1,2-dione

1-pyrrol-1-yl-2-thiophen-2-ylethane-1,2-dione (PubChem CID 174641715) has the molecular formula C10H7NO2S and a molecular weight of 205.24 g/mol. Its IUPAC name is 1-pyrrol-1-yl-2-thiophen-2-ylethane-1,2-dione.

Molecular Properties

Compound Name1-pyrrol-1-yl-2-thiophen-2-ylethane-1,2-dione
PubChem CID174641715
Molecular FormulaC10H7NO2S
Molecular Weight205.24 g/mol
Exact Mass205.02
IUPAC Name1-pyrrol-1-yl-2-thiophen-2-ylethane-1,2-dione
SMILESO=C(C(=O)n1cccc1)c1cccs1
InChIInChI=1S/C10H7NO2S/c12-9(8-4-3-7-14-8)10(13)11-5-1-2-6-11/h1-7H
InChIKeyLIBCUIRLKHFLHQ-UHFFFAOYSA-N
XLogP2.07
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.24
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(azepan-1-yl)-2-thiophen-2-ylethane-1,2-dione
CID 82116951
1-phenyl-2-thiophen-2-ylethane-1,2-dione
CID 2175267
2,3-dimethyl-1-thiophen-2-ylbut-2-en-1-one
CID 131801030
methyl 2-oxo-2-thiophen-2-ylacetate
CID 11217486
thiophene-2-carboxylic acid;dihydrochloride
CID 142681507
CID 11204853
CID 11204853
sodium thiophene-2-carboxylate
CID 23672340
formaldehyde;thiophene-2-carboxylic acid
CID 158716916
2-phenyl-1-thiophen-2-ylprop-2-en-1-one
CID 3007406
azetidin-3-yl(thiophen-2-yl)methanone
CID 58080702
2,5-bis(2,2-dithiophen-2-ylethenyl)thiophene
CID 102204980
2-(1,2,2-trithiophen-2-ylethenyl)thiophene
CID 15249530

Frequently Asked Questions

What is the IUPAC name of 1-pyrrol-1-yl-2-thiophen-2-ylethane-1,2-dione?
The IUPAC name of 1-pyrrol-1-yl-2-thiophen-2-ylethane-1,2-dione (CID 174641715) is 1-pyrrol-1-yl-2-thiophen-2-ylethane-1,2-dione.
What is the SMILES notation for 1-pyrrol-1-yl-2-thiophen-2-ylethane-1,2-dione?
The canonical SMILES for 1-pyrrol-1-yl-2-thiophen-2-ylethane-1,2-dione is O=C(C(=O)n1cccc1)c1cccs1.
What is the InChIKey of 1-pyrrol-1-yl-2-thiophen-2-ylethane-1,2-dione?
The InChIKey is LIBCUIRLKHFLHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO2S/c12-9(8-4-3-7-14-8)10(13)11-5-1-2-6-11/h1-7H.
What are the key properties of 1-pyrrol-1-yl-2-thiophen-2-ylethane-1,2-dione?
1-pyrrol-1-yl-2-thiophen-2-ylethane-1,2-dione has a molecular weight of 205.24 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrol-1-yl-2-thiophen-2-ylethane-1,2-dione is sourced from PubChem (CID 174641715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).