[2-(hydroxymethyl)pyrrolidin-1-yl]-(5-iodothiophen-3-yl)methanone

C10H12INO2S — CID 79693229

IUPAC[2-(hydroxymethyl)pyrrolidin-1-yl]-(5-iodothiophen-3-yl)methanone
SMILESO=C(c1csc(I)c1)N1CCCC1CO
InChIInChI=1S/C10H12INO2S/c11-9-4-7(6-15-9)10(14)12-3-1-2-8(12)5-13/h4,6,8,13H,1-3,5H2
InChIKeyCDGXNRMCBQJROK-UHFFFAOYSA-N
MW337.18 g/mol
LogP1.95
Rot. Bonds2

About [2-(hydroxymethyl)pyrrolidin-1-yl]-(5-iodothiophen-3-yl)methanone

[2-(hydroxymethyl)pyrrolidin-1-yl]-(5-iodothiophen-3-yl)methanone (PubChem CID 79693229) has the molecular formula C10H12INO2S and a molecular weight of 337.18 g/mol. Its IUPAC name is [2-(hydroxymethyl)pyrrolidin-1-yl]-(5-iodothiophen-3-yl)methanone.

Molecular Properties

Compound Name[2-(hydroxymethyl)pyrrolidin-1-yl]-(5-iodothiophen-3-yl)methanone
PubChem CID79693229
Molecular FormulaC10H12INO2S
Molecular Weight337.18 g/mol
Exact Mass336.96
IUPAC Name[2-(hydroxymethyl)pyrrolidin-1-yl]-(5-iodothiophen-3-yl)methanone
SMILESO=C(c1csc(I)c1)N1CCCC1CO
InChIInChI=1S/C10H12INO2S/c11-9-4-7(6-15-9)10(14)12-3-1-2-8(12)5-13/h4,6,8,13H,1-3,5H2
InChIKeyCDGXNRMCBQJROK-UHFFFAOYSA-N
XLogP1.95
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.18
LogP ≤ 51.95
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

[2-(Hydroxymethyl)-2-methyl-1-pyrrolidinyl](3-thienyl)methanone
CID 86771532
[2-(Hydroxymethyl)-2-propyl-1-pyrrolidinyl](3-thienyl)methanone
CID 86771538
N-(2-hydroxyethyl)-5-iodo-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
CID 79693695
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-iodothiophene-3-carboxamide
CID 107479989
[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-thiophen-3-ylmethanone
CID 126785983
N-[1-(hydroxymethyl)propyl]-N-(3-thienylmethyl)thiophene-3-carboxamide
CID 46993383
1-(3-Thienylcarbonyl)-L-proline
CID 30048572
(R)-(3-hydroxypyrrolidin-1-yl)(thiophen-3-yl)methanone
CID 66261386
4-Hydroxy-1-(thiophene-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 16772337
1-(Thiophene-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 16776619
(2S,4R)-4-hydroxy-1-(thiophene-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 29899291
(2S,4S)-4-hydroxy-1-(thiophene-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 29899295

Frequently Asked Questions

What is the IUPAC name of [2-(hydroxymethyl)pyrrolidin-1-yl]-(5-iodothiophen-3-yl)methanone?
The IUPAC name of [2-(hydroxymethyl)pyrrolidin-1-yl]-(5-iodothiophen-3-yl)methanone (CID 79693229) is [2-(hydroxymethyl)pyrrolidin-1-yl]-(5-iodothiophen-3-yl)methanone.
What is the SMILES notation for [2-(hydroxymethyl)pyrrolidin-1-yl]-(5-iodothiophen-3-yl)methanone?
The canonical SMILES for [2-(hydroxymethyl)pyrrolidin-1-yl]-(5-iodothiophen-3-yl)methanone is O=C(c1csc(I)c1)N1CCCC1CO.
What is the InChIKey of [2-(hydroxymethyl)pyrrolidin-1-yl]-(5-iodothiophen-3-yl)methanone?
The InChIKey is CDGXNRMCBQJROK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12INO2S/c11-9-4-7(6-15-9)10(14)12-3-1-2-8(12)5-13/h4,6,8,13H,1-3,5H2.
What are the key properties of [2-(hydroxymethyl)pyrrolidin-1-yl]-(5-iodothiophen-3-yl)methanone?
[2-(hydroxymethyl)pyrrolidin-1-yl]-(5-iodothiophen-3-yl)methanone has a molecular weight of 337.18 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(hydroxymethyl)pyrrolidin-1-yl]-(5-iodothiophen-3-yl)methanone is sourced from PubChem (CID 79693229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).