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

C15H15NO2S — CID 62916923

IUPAC(3-hydroxypyrrolidin-1-yl)-(3-phenylthiophen-2-yl)methanone
SMILESO=C(c1sccc1-c1ccccc1)N1CCC(O)C1
InChIInChI=1S/C15H15NO2S/c17-12-6-8-16(10-12)15(18)14-13(7-9-19-14)11-4-2-1-3-5-11/h1-5,7,9,12,17H,6,8,10H2
InChIKeyUOEQKYDGEDUWRB-UHFFFAOYSA-N
MW273.36 g/mol
LogP2.62
Rot. Bonds2

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

(3-hydroxypyrrolidin-1-yl)-(3-phenylthiophen-2-yl)methanone (PubChem CID 62916923) has the molecular formula C15H15NO2S and a molecular weight of 273.36 g/mol. Its IUPAC name is (3-hydroxypyrrolidin-1-yl)-(3-phenylthiophen-2-yl)methanone.

Molecular Properties

Compound Name(3-hydroxypyrrolidin-1-yl)-(3-phenylthiophen-2-yl)methanone
PubChem CID62916923
Molecular FormulaC15H15NO2S
Molecular Weight273.36 g/mol
Exact Mass273.08
IUPAC Name(3-hydroxypyrrolidin-1-yl)-(3-phenylthiophen-2-yl)methanone
SMILESO=C(c1sccc1-c1ccccc1)N1CCC(O)C1
InChIInChI=1S/C15H15NO2S/c17-12-6-8-16(10-12)15(18)14-13(7-9-19-14)11-4-2-1-3-5-11/h1-5,7,9,12,17H,6,8,10H2
InChIKeyUOEQKYDGEDUWRB-UHFFFAOYSA-N
XLogP2.62
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methylpiperidin-1-yl)-(3-phenylthiophen-2-yl)methanone
CID 78768210
[(3R)-3-hydroxypyrrolidin-1-yl]-(3-iodothiophen-2-yl)methanone
CID 126983180
(3-hydroxypyrrolidin-1-yl)-(3-methylthiophen-2-yl)methanone
CID 62916564
morpholin-4-yl-(3-phenylthiophen-2-yl)methanone
CID 18105345
(4-benzhydrylpiperazin-1-yl)-(3-phenylthiophen-2-yl)methanone
CID 2444171
[2-(4-chlorophenyl)morpholin-4-yl]-(3-phenylthiophen-2-yl)methanone
CID 55947755
2-ethyl-7-(3-phenylthiophene-2-carbonyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione
CID 139010342
N-butyl-1-(3-phenylthiophene-2-carbonyl)piperidine-4-carboxamide
CID 86985184
[(3S)-3-hydroxypiperidin-1-yl]-(3-pyrrol-1-ylthiophen-2-yl)methanone
CID 107224289
[3-(aminomethyl)pyrrolidin-1-yl]-[3-(4-methylphenyl)thiophen-2-yl]methanone;hydrochloride
CID 119483382
[(3S)-3-hydroxypyrrolidin-1-yl]-(5-phenyl-3-phenylmethoxythiophen-2-yl)methanone
CID 126790939
(3-hydroxypyrrolidin-1-yl)-(3-methyl-1-benzothiophen-2-yl)methanone
CID 62916236

Frequently Asked Questions

What is the IUPAC name of (3-hydroxypyrrolidin-1-yl)-(3-phenylthiophen-2-yl)methanone?
The IUPAC name of (3-hydroxypyrrolidin-1-yl)-(3-phenylthiophen-2-yl)methanone (CID 62916923) is (3-hydroxypyrrolidin-1-yl)-(3-phenylthiophen-2-yl)methanone.
What is the SMILES notation for (3-hydroxypyrrolidin-1-yl)-(3-phenylthiophen-2-yl)methanone?
The canonical SMILES for (3-hydroxypyrrolidin-1-yl)-(3-phenylthiophen-2-yl)methanone is O=C(c1sccc1-c1ccccc1)N1CCC(O)C1.
What is the InChIKey of (3-hydroxypyrrolidin-1-yl)-(3-phenylthiophen-2-yl)methanone?
The InChIKey is UOEQKYDGEDUWRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2S/c17-12-6-8-16(10-12)15(18)14-13(7-9-19-14)11-4-2-1-3-5-11/h1-5,7,9,12,17H,6,8,10H2.
What are the key properties of (3-hydroxypyrrolidin-1-yl)-(3-phenylthiophen-2-yl)methanone?
(3-hydroxypyrrolidin-1-yl)-(3-phenylthiophen-2-yl)methanone has a molecular weight of 273.36 g/mol, XLogP of 2.62, 2 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-phenylthiophen-2-yl)methanone is sourced from PubChem (CID 62916923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).