[(3R)-3-hydroxypyrrolidin-1-yl]-(3-iodothiophen-2-yl)methanone

C9H10INO2S — CID 126983180

IUPAC[(3R)-3-hydroxypyrrolidin-1-yl]-(3-iodothiophen-2-yl)methanone
SMILESO=C(c1sccc1I)N1CC[C@@H](O)C1
InChIInChI=1S/C9H10INO2S/c10-7-2-4-14-8(7)9(13)11-3-1-6(12)5-11/h2,4,6,12H,1,3,5H2/t6-/m1/s1
InChIKeyWKUDYCPQEAVXBC-ZCFIWIBFSA-N
MW323.16 g/mol
LogP1.56
Rot. Bonds1

About [(3R)-3-hydroxypyrrolidin-1-yl]-(3-iodothiophen-2-yl)methanone

[(3R)-3-hydroxypyrrolidin-1-yl]-(3-iodothiophen-2-yl)methanone (PubChem CID 126983180) has the molecular formula C9H10INO2S and a molecular weight of 323.16 g/mol. Its IUPAC name is [(3R)-3-hydroxypyrrolidin-1-yl]-(3-iodothiophen-2-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-hydroxypyrrolidin-1-yl]-(3-iodothiophen-2-yl)methanone
PubChem CID126983180
Molecular FormulaC9H10INO2S
Molecular Weight323.16 g/mol
Exact Mass322.95
IUPAC Name[(3R)-3-hydroxypyrrolidin-1-yl]-(3-iodothiophen-2-yl)methanone
SMILESO=C(c1sccc1I)N1CC[C@@H](O)C1
InChIInChI=1S/C9H10INO2S/c10-7-2-4-14-8(7)9(13)11-3-1-6(12)5-11/h2,4,6,12H,1,3,5H2/t6-/m1/s1
InChIKeyWKUDYCPQEAVXBC-ZCFIWIBFSA-N
XLogP1.56
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.16
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

(3-hydroxypyrrolidin-1-yl)-(3-methylthiophen-2-yl)methanone
CID 62916564
(3-hydroxypyrrolidin-1-yl)-(3-phenylthiophen-2-yl)methanone
CID 62916923
[(3S)-3-hydroxypiperidin-1-yl]-(3-pyrrol-1-ylthiophen-2-yl)methanone
CID 107224289
(3-iodothiophen-2-yl)-(4-methylidenepiperidin-1-yl)methanone
CID 130765889
(3-hydroxypyrrolidin-1-yl)-(2-iodophenyl)methanone
CID 55211972
(3-chloropyrrolidin-1-yl)-(3-chlorothiophen-2-yl)methanone
CID 80641309
(5-bromo-2-iodophenyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 79029701
(3-bromothiophen-2-yl)-(3,4-dimethylpiperidin-1-yl)methanone
CID 115871811
(3,6-dichloro-1-benzothiophen-2-yl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 62918798
[3-(chloromethyl)pyrrolidin-1-yl]-(3-chlorothiophen-2-yl)methanone
CID 80641541
(3-chlorothiophen-2-yl)-[3-(methylamino)pyrrolidin-1-yl]methanone
CID 115300132
(3-bromopyrrolidin-1-yl)-(3-bromothiophen-2-yl)methanone
CID 80677244

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-hydroxypyrrolidin-1-yl]-(3-iodothiophen-2-yl)methanone?
The IUPAC name of [(3R)-3-hydroxypyrrolidin-1-yl]-(3-iodothiophen-2-yl)methanone (CID 126983180) is [(3R)-3-hydroxypyrrolidin-1-yl]-(3-iodothiophen-2-yl)methanone.
What is the SMILES notation for [(3R)-3-hydroxypyrrolidin-1-yl]-(3-iodothiophen-2-yl)methanone?
The canonical SMILES for [(3R)-3-hydroxypyrrolidin-1-yl]-(3-iodothiophen-2-yl)methanone is O=C(c1sccc1I)N1CC[C@@H](O)C1.
What is the InChIKey of [(3R)-3-hydroxypyrrolidin-1-yl]-(3-iodothiophen-2-yl)methanone?
The InChIKey is WKUDYCPQEAVXBC-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H10INO2S/c10-7-2-4-14-8(7)9(13)11-3-1-6(12)5-11/h2,4,6,12H,1,3,5H2/t6-/m1/s1.
What are the key properties of [(3R)-3-hydroxypyrrolidin-1-yl]-(3-iodothiophen-2-yl)methanone?
[(3R)-3-hydroxypyrrolidin-1-yl]-(3-iodothiophen-2-yl)methanone has a molecular weight of 323.16 g/mol, XLogP of 1.56, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-hydroxypyrrolidin-1-yl]-(3-iodothiophen-2-yl)methanone is sourced from PubChem (CID 126983180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).