1-(2-ethoxypropyl)-4-iodopyrrole-2-carboxylic acid

C10H14INO3 — CID 114606710

IUPAC1-(2-ethoxypropyl)-4-iodopyrrole-2-carboxylic acid
SMILESCCOC(C)Cn1cc(I)cc1C(=O)O
InChIInChI=1S/C10H14INO3/c1-3-15-7(2)5-12-6-8(11)4-9(12)10(13)14/h4,6-7H,3,5H2,1-2H3,(H,13,14)
InChIKeyHCUQULCXDUQJIA-UHFFFAOYSA-N
MW323.13 g/mol
LogP2.22
Rot. Bonds5

About 1-(2-ethoxypropyl)-4-iodopyrrole-2-carboxylic acid

1-(2-ethoxypropyl)-4-iodopyrrole-2-carboxylic acid (PubChem CID 114606710) has the molecular formula C10H14INO3 and a molecular weight of 323.13 g/mol. Its IUPAC name is 1-(2-ethoxypropyl)-4-iodopyrrole-2-carboxylic acid.

Molecular Properties

Compound Name1-(2-ethoxypropyl)-4-iodopyrrole-2-carboxylic acid
PubChem CID114606710
Molecular FormulaC10H14INO3
Molecular Weight323.13 g/mol
Exact Mass323.00
IUPAC Name1-(2-ethoxypropyl)-4-iodopyrrole-2-carboxylic acid
SMILESCCOC(C)Cn1cc(I)cc1C(=O)O
InChIInChI=1S/C10H14INO3/c1-3-15-7(2)5-12-6-8(11)4-9(12)10(13)14/h4,6-7H,3,5H2,1-2H3,(H,13,14)
InChIKeyHCUQULCXDUQJIA-UHFFFAOYSA-N
XLogP2.22
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.13
LogP ≤ 52.22
H-Bond Donors ≤ 51
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 1-(2-ethoxypropyl)-4-iodopyrrole-2-carboxylic acid?
The IUPAC name of 1-(2-ethoxypropyl)-4-iodopyrrole-2-carboxylic acid (CID 114606710) is 1-(2-ethoxypropyl)-4-iodopyrrole-2-carboxylic acid.
What is the SMILES notation for 1-(2-ethoxypropyl)-4-iodopyrrole-2-carboxylic acid?
The canonical SMILES for 1-(2-ethoxypropyl)-4-iodopyrrole-2-carboxylic acid is CCOC(C)Cn1cc(I)cc1C(=O)O.
What is the InChIKey of 1-(2-ethoxypropyl)-4-iodopyrrole-2-carboxylic acid?
The InChIKey is HCUQULCXDUQJIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14INO3/c1-3-15-7(2)5-12-6-8(11)4-9(12)10(13)14/h4,6-7H,3,5H2,1-2H3,(H,13,14).
What are the key properties of 1-(2-ethoxypropyl)-4-iodopyrrole-2-carboxylic acid?
1-(2-ethoxypropyl)-4-iodopyrrole-2-carboxylic acid has a molecular weight of 323.13 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxypropyl)-4-iodopyrrole-2-carboxylic acid is sourced from PubChem (CID 114606710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).