(3-hydroxypyrrolidin-1-yl)-(3-methylthiophen-2-yl)methanone

C10H13NO2S — CID 62916564

IUPAC(3-hydroxypyrrolidin-1-yl)-(3-methylthiophen-2-yl)methanone
SMILESCc1ccsc1C(=O)N1CCC(O)C1
InChIInChI=1S/C10H13NO2S/c1-7-3-5-14-9(7)10(13)11-4-2-8(12)6-11/h3,5,8,12H,2,4,6H2,1H3
InChIKeyPANYDEAFOFBTLE-UHFFFAOYSA-N
MW211.29 g/mol
LogP1.26
Rot. Bonds1

About (3-hydroxypyrrolidin-1-yl)-(3-methylthiophen-2-yl)methanone

(3-hydroxypyrrolidin-1-yl)-(3-methylthiophen-2-yl)methanone (PubChem CID 62916564) has the molecular formula C10H13NO2S and a molecular weight of 211.29 g/mol. Its IUPAC name is (3-hydroxypyrrolidin-1-yl)-(3-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name(3-hydroxypyrrolidin-1-yl)-(3-methylthiophen-2-yl)methanone
PubChem CID62916564
Molecular FormulaC10H13NO2S
Molecular Weight211.29 g/mol
Exact Mass211.07
IUPAC Name(3-hydroxypyrrolidin-1-yl)-(3-methylthiophen-2-yl)methanone
SMILESCc1ccsc1C(=O)N1CCC(O)C1
InChIInChI=1S/C10H13NO2S/c1-7-3-5-14-9(7)10(13)11-4-2-8(12)6-11/h3,5,8,12H,2,4,6H2,1H3
InChIKeyPANYDEAFOFBTLE-UHFFFAOYSA-N
XLogP1.26
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-aminopyrrolidin-1-yl)-(3-methylthiophen-2-yl)methanone;hydrochloride
CID 71638228
[(3R)-3-hydroxypyrrolidin-1-yl]-(3-iodothiophen-2-yl)methanone
CID 126983180
1-(3-methylthiophene-2-carbonyl)piperidine-4-carboxylic acid
CID 24704942
(4-aminopiperidin-1-yl)-(3-methylthiophen-2-yl)methanone;hydrochloride
CID 71638229
(3-hydroxypyrrolidin-1-yl)-(3-phenylthiophen-2-yl)methanone
CID 62916923
[(3R)-3-methylpiperazin-1-yl]-(3-methylthiophen-2-yl)methanone
CID 81427148
2-[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]acetic acid
CID 78980342
[(4aR,8aR)-4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(3-methylthiophen-2-yl)methanone
CID 124806600
tert-butyl N-[(3R)-1-(3-methylthiophene-2-carbonyl)pyrrolidin-3-yl]carbamate
CID 71634241
[4-(ethylaminomethyl)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone
CID 80552627
[(3S)-3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidin-1-yl]-(3-methylthiophen-2-yl)methanone
CID 129477332
[(4S,5S)-4-hydroxy-5-imidazol-1-ylazepan-1-yl]-(3-methylthiophen-2-yl)methanone
CID 110126835

Frequently Asked Questions

What is the IUPAC name of (3-hydroxypyrrolidin-1-yl)-(3-methylthiophen-2-yl)methanone?
The IUPAC name of (3-hydroxypyrrolidin-1-yl)-(3-methylthiophen-2-yl)methanone (CID 62916564) is (3-hydroxypyrrolidin-1-yl)-(3-methylthiophen-2-yl)methanone.
What is the SMILES notation for (3-hydroxypyrrolidin-1-yl)-(3-methylthiophen-2-yl)methanone?
The canonical SMILES for (3-hydroxypyrrolidin-1-yl)-(3-methylthiophen-2-yl)methanone is Cc1ccsc1C(=O)N1CCC(O)C1.
What is the InChIKey of (3-hydroxypyrrolidin-1-yl)-(3-methylthiophen-2-yl)methanone?
The InChIKey is PANYDEAFOFBTLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2S/c1-7-3-5-14-9(7)10(13)11-4-2-8(12)6-11/h3,5,8,12H,2,4,6H2,1H3.
What are the key properties of (3-hydroxypyrrolidin-1-yl)-(3-methylthiophen-2-yl)methanone?
(3-hydroxypyrrolidin-1-yl)-(3-methylthiophen-2-yl)methanone has a molecular weight of 211.29 g/mol, XLogP of 1.26, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxypyrrolidin-1-yl)-(3-methylthiophen-2-yl)methanone is sourced from PubChem (CID 62916564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).