1-(thiophene-2-carbonyl)pyrrolidin-3-one

C9H9NO2S — CID 112536071

IUPAC1-(thiophene-2-carbonyl)pyrrolidin-3-one
SMILESO=C1CCN(C(=O)c2cccs2)C1
InChIInChI=1S/C9H9NO2S/c11-7-3-4-10(6-7)9(12)8-2-1-5-13-8/h1-2,5H,3-4,6H2
InChIKeyCHUSHMWPAKYRBF-UHFFFAOYSA-N
MW195.24 g/mol
LogP1.16
Rot. Bonds1

About 1-(thiophene-2-carbonyl)pyrrolidin-3-one

1-(thiophene-2-carbonyl)pyrrolidin-3-one (PubChem CID 112536071) has the molecular formula C9H9NO2S and a molecular weight of 195.24 g/mol. Its IUPAC name is 1-(thiophene-2-carbonyl)pyrrolidin-3-one.

Molecular Properties

Compound Name1-(thiophene-2-carbonyl)pyrrolidin-3-one
PubChem CID112536071
Molecular FormulaC9H9NO2S
Molecular Weight195.24 g/mol
Exact Mass195.04
IUPAC Name1-(thiophene-2-carbonyl)pyrrolidin-3-one
SMILESO=C1CCN(C(=O)c2cccs2)C1
InChIInChI=1S/C9H9NO2S/c11-7-3-4-10(6-7)9(12)8-2-1-5-13-8/h1-2,5H,3-4,6H2
InChIKeyCHUSHMWPAKYRBF-UHFFFAOYSA-N
XLogP1.16
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl(thiophen-2-yl)methanone
CID 44771350
1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 60635968
(4-aminopiperazin-1-yl)-thiophen-2-ylmethanone
CID 19791267
1-(thiophene-2-carbonyl)pyrrolidine-2,5-dione
CID 4171182
2-amino-6-(thiophene-2-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 98659185
(2,4-diamino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-thiophen-2-ylmethanone
CID 137381673
ethane;piperazin-1-yl(thiophen-2-yl)methanone
CID 142187928
(4-methylpiperazin-1-yl)-thiophen-2-ylmethanone;propane
CID 142296627
[4-(2-hydroxyethyl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 121200642
3,4-dihydro-1H-isoquinolin-2-yl-[1-(thiophene-2-carbonyl)azetidin-3-yl]methanone
CID 90511006
ethane;(4-methylpiperidin-1-yl)-thiophen-2-ylmethanone
CID 142506623
1-(thiophene-2-carbonyl)piperidine-4-carboxylic acid
CID 760311

Frequently Asked Questions

What is the IUPAC name of 1-(thiophene-2-carbonyl)pyrrolidin-3-one?
The IUPAC name of 1-(thiophene-2-carbonyl)pyrrolidin-3-one (CID 112536071) is 1-(thiophene-2-carbonyl)pyrrolidin-3-one.
What is the SMILES notation for 1-(thiophene-2-carbonyl)pyrrolidin-3-one?
The canonical SMILES for 1-(thiophene-2-carbonyl)pyrrolidin-3-one is O=C1CCN(C(=O)c2cccs2)C1.
What is the InChIKey of 1-(thiophene-2-carbonyl)pyrrolidin-3-one?
The InChIKey is CHUSHMWPAKYRBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO2S/c11-7-3-4-10(6-7)9(12)8-2-1-5-13-8/h1-2,5H,3-4,6H2.
What are the key properties of 1-(thiophene-2-carbonyl)pyrrolidin-3-one?
1-(thiophene-2-carbonyl)pyrrolidin-3-one has a molecular weight of 195.24 g/mol, XLogP of 1.16, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(thiophene-2-carbonyl)pyrrolidin-3-one is sourced from PubChem (CID 112536071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).