(2-methylpyrrolidin-3-yl)-thiophen-3-ylmethanone

C10H13NOS — CID 116592037

IUPAC(2-methylpyrrolidin-3-yl)-thiophen-3-ylmethanone
SMILESCC1NCCC1C(=O)c1ccsc1
InChIInChI=1S/C10H13NOS/c1-7-9(2-4-11-7)10(12)8-3-5-13-6-8/h3,5-7,9,11H,2,4H2,1H3
InChIKeyNYHXDTKLNWHTJJ-UHFFFAOYSA-N
MW195.29 g/mol
LogP1.93
Rot. Bonds2

About (2-methylpyrrolidin-3-yl)-thiophen-3-ylmethanone

(2-methylpyrrolidin-3-yl)-thiophen-3-ylmethanone (PubChem CID 116592037) has the molecular formula C10H13NOS and a molecular weight of 195.29 g/mol. Its IUPAC name is (2-methylpyrrolidin-3-yl)-thiophen-3-ylmethanone.

Molecular Properties

Compound Name(2-methylpyrrolidin-3-yl)-thiophen-3-ylmethanone
PubChem CID116592037
Molecular FormulaC10H13NOS
Molecular Weight195.29 g/mol
Exact Mass195.07
IUPAC Name(2-methylpyrrolidin-3-yl)-thiophen-3-ylmethanone
SMILESCC1NCCC1C(=O)c1ccsc1
InChIInChI=1S/C10H13NOS/c1-7-9(2-4-11-7)10(12)8-3-5-13-6-8/h3,5-7,9,11H,2,4H2,1H3
InChIKeyNYHXDTKLNWHTJJ-UHFFFAOYSA-N
XLogP1.93
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-(thiophen-3-ylmethyl)pyrrolidine-3-carboxamide
CID 79383907
2-(thiophene-3-carbonyl)cyclopropane-1-carboxylic acid
CID 123320476
(3,4-dimethoxyphenyl)-(2-methylpyrrolidin-3-yl)methanone
CID 116592106
(2-aminocyclohexyl)-thiophen-3-ylmethanone
CID 116579819
(2-methylpyrrolidin-3-yl)-(4-propoxyphenyl)methanone
CID 116592105
(2-methylpyrrolidin-3-yl)-(1H-pyrrol-2-yl)methanone
CID 130527867
(2-aminocycloheptyl)-thiophen-3-ylmethanone
CID 116595140
(1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl)-thiophen-3-ylmethanone
CID 5171625
(2R,3R)-2-methylpyrrolidine-3-carboxylic acid
CID 10887930
(2,5-dichlorophenyl)-(2-methylpyrrolidin-3-yl)methanone
CID 116592107
(3-methylpyrrolidin-2-yl)-[4-(thiophene-3-carbonyl)piperazin-1-yl]methanone
CID 102778824
oxan-4-yl(thiophen-3-yl)methanone
CID 18994237

Frequently Asked Questions

What is the IUPAC name of (2-methylpyrrolidin-3-yl)-thiophen-3-ylmethanone?
The IUPAC name of (2-methylpyrrolidin-3-yl)-thiophen-3-ylmethanone (CID 116592037) is (2-methylpyrrolidin-3-yl)-thiophen-3-ylmethanone.
What is the SMILES notation for (2-methylpyrrolidin-3-yl)-thiophen-3-ylmethanone?
The canonical SMILES for (2-methylpyrrolidin-3-yl)-thiophen-3-ylmethanone is CC1NCCC1C(=O)c1ccsc1.
What is the InChIKey of (2-methylpyrrolidin-3-yl)-thiophen-3-ylmethanone?
The InChIKey is NYHXDTKLNWHTJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NOS/c1-7-9(2-4-11-7)10(12)8-3-5-13-6-8/h3,5-7,9,11H,2,4H2,1H3.
What are the key properties of (2-methylpyrrolidin-3-yl)-thiophen-3-ylmethanone?
(2-methylpyrrolidin-3-yl)-thiophen-3-ylmethanone has a molecular weight of 195.29 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpyrrolidin-3-yl)-thiophen-3-ylmethanone is sourced from PubChem (CID 116592037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).