4-hydroxy-1-(5-iodothiophene-3-carbonyl)pyrrolidine-2-carboxamide

C10H11IN2O3S — CID 79693227

IUPAC4-hydroxy-1-(5-iodothiophene-3-carbonyl)pyrrolidine-2-carboxamide
SMILESNC(=O)C1CC(O)CN1C(=O)c1csc(I)c1
InChIInChI=1S/C10H11IN2O3S/c11-8-1-5(4-17-8)10(16)13-3-6(14)2-7(13)9(12)15/h1,4,6-7,14H,2-3H2,(H2,12,15)
InChIKeyCYIUMIGXBPOIHA-UHFFFAOYSA-N
MW366.18 g/mol
LogP0.41
Rot. Bonds2

About 4-hydroxy-1-(5-iodothiophene-3-carbonyl)pyrrolidine-2-carboxamide

4-hydroxy-1-(5-iodothiophene-3-carbonyl)pyrrolidine-2-carboxamide (PubChem CID 79693227) has the molecular formula C10H11IN2O3S and a molecular weight of 366.18 g/mol. Its IUPAC name is 4-hydroxy-1-(5-iodothiophene-3-carbonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name4-hydroxy-1-(5-iodothiophene-3-carbonyl)pyrrolidine-2-carboxamide
PubChem CID79693227
Molecular FormulaC10H11IN2O3S
Molecular Weight366.18 g/mol
Exact Mass365.95
IUPAC Name4-hydroxy-1-(5-iodothiophene-3-carbonyl)pyrrolidine-2-carboxamide
SMILESNC(=O)C1CC(O)CN1C(=O)c1csc(I)c1
InChIInChI=1S/C10H11IN2O3S/c11-8-1-5(4-17-8)10(16)13-3-6(14)2-7(13)9(12)15/h1,4,6-7,14H,2-3H2,(H2,12,15)
InChIKeyCYIUMIGXBPOIHA-UHFFFAOYSA-N
XLogP0.41
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.18
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(5-iodothiophene-3-carbonyl)pyrrolidine-2-carboxamide?
The IUPAC name of 4-hydroxy-1-(5-iodothiophene-3-carbonyl)pyrrolidine-2-carboxamide (CID 79693227) is 4-hydroxy-1-(5-iodothiophene-3-carbonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 4-hydroxy-1-(5-iodothiophene-3-carbonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 4-hydroxy-1-(5-iodothiophene-3-carbonyl)pyrrolidine-2-carboxamide is NC(=O)C1CC(O)CN1C(=O)c1csc(I)c1.
What is the InChIKey of 4-hydroxy-1-(5-iodothiophene-3-carbonyl)pyrrolidine-2-carboxamide?
The InChIKey is CYIUMIGXBPOIHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11IN2O3S/c11-8-1-5(4-17-8)10(16)13-3-6(14)2-7(13)9(12)15/h1,4,6-7,14H,2-3H2,(H2,12,15).
What are the key properties of 4-hydroxy-1-(5-iodothiophene-3-carbonyl)pyrrolidine-2-carboxamide?
4-hydroxy-1-(5-iodothiophene-3-carbonyl)pyrrolidine-2-carboxamide has a molecular weight of 366.18 g/mol, XLogP of 0.41, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(5-iodothiophene-3-carbonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 79693227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).