(3R)-3-hydroxy-4-iodo-3-(2-oxopropyl)-1H-indol-2-one

C11H10INO3 — CID 102048985

IUPAC(3R)-3-hydroxy-4-iodo-3-(2-oxopropyl)-1H-indol-2-one
SMILESCC(=O)C[C@]1(O)C(=O)Nc2cccc(I)c21
InChIInChI=1S/C11H10INO3/c1-6(14)5-11(16)9-7(12)3-2-4-8(9)13-10(11)15/h2-4,16H,5H2,1H3,(H,13,15)/t11-/m1/s1
InChIKeyOKAXTXFRYURWJZ-LLVKDONJSA-N
MW331.11 g/mol
LogP1.41
Rot. Bonds2

About (3R)-3-hydroxy-4-iodo-3-(2-oxopropyl)-1H-indol-2-one

(3R)-3-hydroxy-4-iodo-3-(2-oxopropyl)-1H-indol-2-one (PubChem CID 102048985) has the molecular formula C11H10INO3 and a molecular weight of 331.11 g/mol. Its IUPAC name is (3R)-3-hydroxy-4-iodo-3-(2-oxopropyl)-1H-indol-2-one.

Molecular Properties

Compound Name(3R)-3-hydroxy-4-iodo-3-(2-oxopropyl)-1H-indol-2-one
PubChem CID102048985
Molecular FormulaC11H10INO3
Molecular Weight331.11 g/mol
Exact Mass330.97
IUPAC Name(3R)-3-hydroxy-4-iodo-3-(2-oxopropyl)-1H-indol-2-one
SMILESCC(=O)C[C@]1(O)C(=O)Nc2cccc(I)c21
InChIInChI=1S/C11H10INO3/c1-6(14)5-11(16)9-7(12)3-2-4-8(9)13-10(11)15/h2-4,16H,5H2,1H3,(H,13,15)/t11-/m1/s1
InChIKeyOKAXTXFRYURWJZ-LLVKDONJSA-N
XLogP1.41
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.11
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-hydroxy-4-iodo-3-(2-oxopropyl)-1H-indol-2-one?
The IUPAC name of (3R)-3-hydroxy-4-iodo-3-(2-oxopropyl)-1H-indol-2-one (CID 102048985) is (3R)-3-hydroxy-4-iodo-3-(2-oxopropyl)-1H-indol-2-one.
What is the SMILES notation for (3R)-3-hydroxy-4-iodo-3-(2-oxopropyl)-1H-indol-2-one?
The canonical SMILES for (3R)-3-hydroxy-4-iodo-3-(2-oxopropyl)-1H-indol-2-one is CC(=O)C[C@]1(O)C(=O)Nc2cccc(I)c21.
What is the InChIKey of (3R)-3-hydroxy-4-iodo-3-(2-oxopropyl)-1H-indol-2-one?
The InChIKey is OKAXTXFRYURWJZ-LLVKDONJSA-N. The full InChI is InChI=1S/C11H10INO3/c1-6(14)5-11(16)9-7(12)3-2-4-8(9)13-10(11)15/h2-4,16H,5H2,1H3,(H,13,15)/t11-/m1/s1.
What are the key properties of (3R)-3-hydroxy-4-iodo-3-(2-oxopropyl)-1H-indol-2-one?
(3R)-3-hydroxy-4-iodo-3-(2-oxopropyl)-1H-indol-2-one has a molecular weight of 331.11 g/mol, XLogP of 1.41, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-hydroxy-4-iodo-3-(2-oxopropyl)-1H-indol-2-one is sourced from PubChem (CID 102048985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).