(3-methoxythiophen-2-yl)-pyrrolidin-1-ylmethanone

C10H13NO2S — CID 71932811

IUPAC(3-methoxythiophen-2-yl)-pyrrolidin-1-ylmethanone
SMILESCOc1ccsc1C(=O)N1CCCC1
InChIInChI=1S/C10H13NO2S/c1-13-8-4-7-14-9(8)10(12)11-5-2-3-6-11/h4,7H,2-3,5-6H2,1H3
InChIKeyJMIDHZGPRDXCFQ-UHFFFAOYSA-N
MW211.29 g/mol
LogP1.99
Rot. Bonds2

About (3-methoxythiophen-2-yl)-pyrrolidin-1-ylmethanone

(3-methoxythiophen-2-yl)-pyrrolidin-1-ylmethanone (PubChem CID 71932811) has the molecular formula C10H13NO2S and a molecular weight of 211.29 g/mol. Its IUPAC name is (3-methoxythiophen-2-yl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(3-methoxythiophen-2-yl)-pyrrolidin-1-ylmethanone
PubChem CID71932811
Molecular FormulaC10H13NO2S
Molecular Weight211.29 g/mol
Exact Mass211.07
IUPAC Name(3-methoxythiophen-2-yl)-pyrrolidin-1-ylmethanone
SMILESCOc1ccsc1C(=O)N1CCCC1
InChIInChI=1S/C10H13NO2S/c1-13-8-4-7-14-9(8)10(12)11-5-2-3-6-11/h4,7H,2-3,5-6H2,1H3
InChIKeyJMIDHZGPRDXCFQ-UHFFFAOYSA-N
XLogP1.99
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-Methoxythiophene-2-carboxamide
CID 593881
3-Methoxy-N-[2-(4-morpholinyl)ethyl]-2-thiophenecarboxamide
CID 4353651
[4-(2-Hydroxybutyl)piperazin-1-yl]-(3-methoxythiophen-2-yl)methanone
CID 53604486
N-(1-Cyanopropyl)-3-methoxythiophene-2-carboxamide
CID 72013480
(3-Ethoxythiophen-2-yl)-(4-ethylpiperazin-1-yl)methanone
CID 172433756
N-[(1-ethylpyrrolidin-2-yl)methyl]-5-ethylsulfanyl-3-methoxythiophene-2-carboxamide
CID 19864625
2-(Diethylamino)thieno[1,3]oxazin-4-one
CID 69303126
[4-(2,2-Difluoroethyl)piperazin-1-yl]-[3-(difluoromethoxy)thiophen-2-yl]methanone
CID 53609254
N-(2-cyanoethyl)-N-(2,2-dimethylpropyl)-3-methoxythiophene-2-carboxamide
CID 72013469
N-(1-Cyanoethyl)-3-(difluoromethoxy)thiophene-2-carboxamide
CID 72023017
3-(difluoromethoxy)-N-[2-[(2R)-oxolan-2-yl]ethyl]thiophene-2-carboxamide
CID 95331806
N-[(2S)-1-cyanopropan-2-yl]-3-(difluoromethoxy)thiophene-2-carboxamide
CID 97186106

Frequently Asked Questions

What is the IUPAC name of (3-methoxythiophen-2-yl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (3-methoxythiophen-2-yl)-pyrrolidin-1-ylmethanone (CID 71932811) is (3-methoxythiophen-2-yl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (3-methoxythiophen-2-yl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (3-methoxythiophen-2-yl)-pyrrolidin-1-ylmethanone is COc1ccsc1C(=O)N1CCCC1.
What is the InChIKey of (3-methoxythiophen-2-yl)-pyrrolidin-1-ylmethanone?
The InChIKey is JMIDHZGPRDXCFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2S/c1-13-8-4-7-14-9(8)10(12)11-5-2-3-6-11/h4,7H,2-3,5-6H2,1H3.
What are the key properties of (3-methoxythiophen-2-yl)-pyrrolidin-1-ylmethanone?
(3-methoxythiophen-2-yl)-pyrrolidin-1-ylmethanone has a molecular weight of 211.29 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxythiophen-2-yl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 71932811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).