3H-pyrrol-2-yl(thiophen-2-yl)methanone

C9H7NOS — CID 58171448

IUPAC3H-pyrrol-2-yl(thiophen-2-yl)methanone
SMILESO=C(C1=NC=CC1)c1cccs1
InChIInChI=1S/C9H7NOS/c11-9(7-3-1-5-10-7)8-4-2-6-12-8/h1-2,4-6H,3H2
InChIKeyUTQDSDOXICGXOM-UHFFFAOYSA-N
MW177.23 g/mol
LogP2.29
Rot. Bonds2

About 3H-pyrrol-2-yl(thiophen-2-yl)methanone

3H-pyrrol-2-yl(thiophen-2-yl)methanone (PubChem CID 58171448) has the molecular formula C9H7NOS and a molecular weight of 177.23 g/mol. Its IUPAC name is 3H-pyrrol-2-yl(thiophen-2-yl)methanone.

Molecular Properties

Compound Name3H-pyrrol-2-yl(thiophen-2-yl)methanone
PubChem CID58171448
Molecular FormulaC9H7NOS
Molecular Weight177.23 g/mol
Exact Mass177.02
IUPAC Name3H-pyrrol-2-yl(thiophen-2-yl)methanone
SMILESO=C(C1=NC=CC1)c1cccs1
InChIInChI=1S/C9H7NOS/c11-9(7-3-1-5-10-7)8-4-2-6-12-8/h1-2,4-6H,3H2
InChIKeyUTQDSDOXICGXOM-UHFFFAOYSA-N
XLogP2.29
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.23
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(Dimethylamino)-1-(thiophen-2-yl)prop-2-en-1-one
CID 712110
3-(Dimethylamino)-1-(2-thienyl)-2-propen-1-one
CID 602399
(2Z)-3-(dimethylamino)-1-(2-thienyl)prop-2-en-1-one
CID 1714214
4,4-Difluoro-3-methylimino-1-thiophen-2-ylpentan-1-one;ethane
CID 143745216
4,4,4-Trifluoro-3-imino-1-thiophen-2-ylbutan-1-one
CID 6935497
4,4-Difluoro-3-imino-1-thiophen-2-ylbutan-1-one
CID 7299906
4,4,5,5,5-Pentafluoro-3-imino-1-thiophen-2-ylpentan-1-one
CID 7367475
4,4-Difluoro-3-methylimino-1-thiophen-2-ylpentan-1-one
CID 143745217
(2E,4E)-5-(dimethylamino)-1-thiophen-2-ylpenta-2,4-dien-1-one
CID 5713157
(3-Oxo-3-thiophen-2-ylprop-1-enylidene)azanide
CID 136682631
2-(4,5-Dihydro-1,3-thiazol-2-yl)-1-thiophen-2-ylethanone
CID 2805461
2-(3,4-dihydro-2H-pyrrol-5-ylsulfanyl)-1-thiophen-2-ylethanone
CID 20291050

Frequently Asked Questions

What is the IUPAC name of 3H-pyrrol-2-yl(thiophen-2-yl)methanone?
The IUPAC name of 3H-pyrrol-2-yl(thiophen-2-yl)methanone (CID 58171448) is 3H-pyrrol-2-yl(thiophen-2-yl)methanone.
What is the SMILES notation for 3H-pyrrol-2-yl(thiophen-2-yl)methanone?
The canonical SMILES for 3H-pyrrol-2-yl(thiophen-2-yl)methanone is O=C(C1=NC=CC1)c1cccs1.
What is the InChIKey of 3H-pyrrol-2-yl(thiophen-2-yl)methanone?
The InChIKey is UTQDSDOXICGXOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NOS/c11-9(7-3-1-5-10-7)8-4-2-6-12-8/h1-2,4-6H,3H2.
What are the key properties of 3H-pyrrol-2-yl(thiophen-2-yl)methanone?
3H-pyrrol-2-yl(thiophen-2-yl)methanone has a molecular weight of 177.23 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-pyrrol-2-yl(thiophen-2-yl)methanone is sourced from PubChem (CID 58171448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).