(3,4-dihydroxypyrrolidin-1-yl)-(3-pyrrol-1-ylthiophen-2-yl)methanone

C13H14N2O3S — CID 106671096

IUPAC(3,4-dihydroxypyrrolidin-1-yl)-(3-pyrrol-1-ylthiophen-2-yl)methanone
SMILESO=C(c1sccc1-n1cccc1)N1CC(O)C(O)C1
InChIInChI=1S/C13H14N2O3S/c16-10-7-15(8-11(10)17)13(18)12-9(3-6-19-12)14-4-1-2-5-14/h1-6,10-11,16-17H,7-8H2
InChIKeyYWDSLQNLNPNHLT-UHFFFAOYSA-N
MW278.33 g/mol
LogP0.72
Rot. Bonds2

About (3,4-dihydroxypyrrolidin-1-yl)-(3-pyrrol-1-ylthiophen-2-yl)methanone

(3,4-dihydroxypyrrolidin-1-yl)-(3-pyrrol-1-ylthiophen-2-yl)methanone (PubChem CID 106671096) has the molecular formula C13H14N2O3S and a molecular weight of 278.33 g/mol. Its IUPAC name is (3,4-dihydroxypyrrolidin-1-yl)-(3-pyrrol-1-ylthiophen-2-yl)methanone.

Molecular Properties

Compound Name(3,4-dihydroxypyrrolidin-1-yl)-(3-pyrrol-1-ylthiophen-2-yl)methanone
PubChem CID106671096
Molecular FormulaC13H14N2O3S
Molecular Weight278.33 g/mol
Exact Mass278.07
IUPAC Name(3,4-dihydroxypyrrolidin-1-yl)-(3-pyrrol-1-ylthiophen-2-yl)methanone
SMILESO=C(c1sccc1-n1cccc1)N1CC(O)C(O)C1
InChIInChI=1S/C13H14N2O3S/c16-10-7-15(8-11(10)17)13(18)12-9(3-6-19-12)14-4-1-2-5-14/h1-6,10-11,16-17H,7-8H2
InChIKeyYWDSLQNLNPNHLT-UHFFFAOYSA-N
XLogP0.72
TPSA65.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[(3S)-3-hydroxypiperidin-1-yl]-(3-pyrrol-1-ylthiophen-2-yl)methanone
CID 107224289
2-[1-(3-pyrrol-1-ylthiophene-2-carbonyl)azetidin-3-yl]propanoic acid
CID 116681471
(2S,4S)-4-hydroxy-1-(3-pyrrol-1-ylthiophene-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 64713875
(3-chlorothiophen-2-yl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106671123
N-cyclopropyl-1-(3-pyrrol-1-ylthiophene-2-carbonyl)piperidine-4-carboxamide
CID 6620143
cyclopropyl-[4-[1-(3-pyrrol-1-ylthiophene-2-carbonyl)pyrrolidin-3-yl]piperazin-1-yl]methanone
CID 154852614
[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-[3-(tetrazol-1-yl)thiophen-2-yl]methanone
CID 79403974
1-(3-pyrrol-1-ylthiophene-2-carbonyl)-1,4-diazepan-5-one
CID 62045906
N-phenyl-1-(3-pyrrol-1-ylthiophene-2-carbonyl)piperidine-3-carboxamide
CID 24624840
[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(3-pyrrol-1-ylthiophen-2-yl)methanone
CID 154773758
N-methyl-3-pyrrol-1-ylthiophene-2-carboxamide
CID 3694864
1-[10-(3-pyrrol-1-ylthiophene-2-carbonyl)-3-oxa-7,10-diazaspiro[5.6]dodecan-7-yl]ethanone
CID 138013127

Frequently Asked Questions

What is the IUPAC name of (3,4-dihydroxypyrrolidin-1-yl)-(3-pyrrol-1-ylthiophen-2-yl)methanone?
The IUPAC name of (3,4-dihydroxypyrrolidin-1-yl)-(3-pyrrol-1-ylthiophen-2-yl)methanone (CID 106671096) is (3,4-dihydroxypyrrolidin-1-yl)-(3-pyrrol-1-ylthiophen-2-yl)methanone.
What is the SMILES notation for (3,4-dihydroxypyrrolidin-1-yl)-(3-pyrrol-1-ylthiophen-2-yl)methanone?
The canonical SMILES for (3,4-dihydroxypyrrolidin-1-yl)-(3-pyrrol-1-ylthiophen-2-yl)methanone is O=C(c1sccc1-n1cccc1)N1CC(O)C(O)C1.
What is the InChIKey of (3,4-dihydroxypyrrolidin-1-yl)-(3-pyrrol-1-ylthiophen-2-yl)methanone?
The InChIKey is YWDSLQNLNPNHLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S/c16-10-7-15(8-11(10)17)13(18)12-9(3-6-19-12)14-4-1-2-5-14/h1-6,10-11,16-17H,7-8H2.
What are the key properties of (3,4-dihydroxypyrrolidin-1-yl)-(3-pyrrol-1-ylthiophen-2-yl)methanone?
(3,4-dihydroxypyrrolidin-1-yl)-(3-pyrrol-1-ylthiophen-2-yl)methanone has a molecular weight of 278.33 g/mol, XLogP of 0.72, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dihydroxypyrrolidin-1-yl)-(3-pyrrol-1-ylthiophen-2-yl)methanone is sourced from PubChem (CID 106671096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).