pyrrolidin-3-yl(thiophen-2-yl)methanone

C9H11NOS — CID 68933269

IUPACpyrrolidin-3-yl(thiophen-2-yl)methanone
SMILESO=C(c1cccs1)C1CCNC1
InChIInChI=1S/C9H11NOS/c11-9(7-3-4-10-6-7)8-2-1-5-12-8/h1-2,5,7,10H,3-4,6H2
InChIKeyGOJLEAFEKZQPJL-UHFFFAOYSA-N
MW181.26 g/mol
LogP1.54
Rot. Bonds2

About pyrrolidin-3-yl(thiophen-2-yl)methanone

pyrrolidin-3-yl(thiophen-2-yl)methanone (PubChem CID 68933269) has the molecular formula C9H11NOS and a molecular weight of 181.26 g/mol. Its IUPAC name is pyrrolidin-3-yl(thiophen-2-yl)methanone.

Molecular Properties

Compound Namepyrrolidin-3-yl(thiophen-2-yl)methanone
PubChem CID68933269
Molecular FormulaC9H11NOS
Molecular Weight181.26 g/mol
Exact Mass181.06
IUPAC Namepyrrolidin-3-yl(thiophen-2-yl)methanone
SMILESO=C(c1cccs1)C1CCNC1
InChIInChI=1S/C9H11NOS/c11-9(7-3-4-10-6-7)8-2-1-5-12-8/h1-2,5,7,10H,3-4,6H2
InChIKeyGOJLEAFEKZQPJL-UHFFFAOYSA-N
XLogP1.54
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.26
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

azetidin-3-yl(thiophen-2-yl)methanone
CID 58080702
[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-thiophen-2-ylmethanone
CID 175855231
phenyl-[(3R)-pyrrolidin-3-yl]methanone
CID 86327261
N-methyl-N-[(3R)-pyrrolidin-3-yl]thiophene-2-carboxamide
CID 71640939
1-pyrrolidin-3-yl-3-thiophen-2-ylpropan-1-one
CID 116568317
[(2S)-pyrrolidin-2-yl]-thiophen-2-ylmethanone
CID 42076584
N-(pyrrolidin-3-ylmethyl)thiophene-2-carboxamide
CID 71645410
pyrrolidin-3-yl-[2-(trifluoromethyl)phenyl]methanone
CID 116568380
N-(2-phenyl-1-thiophen-2-ylethyl)pyrrolidine-3-carboxamide
CID 119794217
(2-hydroxyphenyl)-pyrrolidin-3-ylmethanone
CID 90905389
N-(1-thiophen-2-ylethyl)pyrrolidine-3-carboxamide
CID 63006092
(3,4-dimethylcyclohexyl)-thiophen-2-ylmethanone
CID 64740221

Frequently Asked Questions

What is the IUPAC name of pyrrolidin-3-yl(thiophen-2-yl)methanone?
The IUPAC name of pyrrolidin-3-yl(thiophen-2-yl)methanone (CID 68933269) is pyrrolidin-3-yl(thiophen-2-yl)methanone.
What is the SMILES notation for pyrrolidin-3-yl(thiophen-2-yl)methanone?
The canonical SMILES for pyrrolidin-3-yl(thiophen-2-yl)methanone is O=C(c1cccs1)C1CCNC1.
What is the InChIKey of pyrrolidin-3-yl(thiophen-2-yl)methanone?
The InChIKey is GOJLEAFEKZQPJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NOS/c11-9(7-3-4-10-6-7)8-2-1-5-12-8/h1-2,5,7,10H,3-4,6H2.
What are the key properties of pyrrolidin-3-yl(thiophen-2-yl)methanone?
pyrrolidin-3-yl(thiophen-2-yl)methanone has a molecular weight of 181.26 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-3-yl(thiophen-2-yl)methanone is sourced from PubChem (CID 68933269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).