2-(2,5-dihydroxypyrrol-1-yl)-2-iodoacetamide

C6H7IN2O3 — CID 57320492

IUPAC2-(2,5-dihydroxypyrrol-1-yl)-2-iodoacetamide
SMILESNC(=O)C(I)n1c(O)ccc1O
InChIInChI=1S/C6H7IN2O3/c7-5(6(8)12)9-3(10)1-2-4(9)11/h1-2,5,10-11H,(H2,8,12)
InChIKeyAEONJYPGXQAQCW-UHFFFAOYSA-N
MW282.04 g/mol
LogP0.32
Rot. Bonds2

About 2-(2,5-dihydroxypyrrol-1-yl)-2-iodoacetamide

2-(2,5-dihydroxypyrrol-1-yl)-2-iodoacetamide (PubChem CID 57320492) has the molecular formula C6H7IN2O3 and a molecular weight of 282.04 g/mol. Its IUPAC name is 2-(2,5-dihydroxypyrrol-1-yl)-2-iodoacetamide.

Molecular Properties

Compound Name2-(2,5-dihydroxypyrrol-1-yl)-2-iodoacetamide
PubChem CID57320492
Molecular FormulaC6H7IN2O3
Molecular Weight282.04 g/mol
Exact Mass281.95
IUPAC Name2-(2,5-dihydroxypyrrol-1-yl)-2-iodoacetamide
SMILESNC(=O)C(I)n1c(O)ccc1O
InChIInChI=1S/C6H7IN2O3/c7-5(6(8)12)9-3(10)1-2-4(9)11/h1-2,5,10-11H,(H2,8,12)
InChIKeyAEONJYPGXQAQCW-UHFFFAOYSA-N
XLogP0.32
TPSA88.48 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.04
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-Methylpyrrole-2,5-diol
CID 21326740
1-Ethylpyrrole-2,5-diol
CID 54068298
2,5-Dihydroxypyrrole-1-carbaldehyde
CID 54249812
1-(2,5-Dihydroxypyrrol-1-yl)ethanone
CID 54531133
1-[2-[2-[2-(2-Aminoethylamino)ethylamino]ethylamino]ethyl]pyrrole-2,5-diol
CID 123225679
2-(2,5-Dihydroxypyrrol-1-yl)acetic acid
CID 53683313
N-[2-(2,5-dihydroxypyrrol-1-yl)ethyl]prop-2-enamide
CID 53737679
1-[2-(2,5-Dihydroxypyrrol-1-yl)acetyl]aziridine-2-carbonitrile
CID 53738860
2-Amino-1-(2,5-dihydroxypyrrol-1-yl)ethanone
CID 53766548
2-(2,5-Dihydroxypyrrol-1-yl)-2-iodoacetaldehyde
CID 53845650
2-(2,5-Dihydroxypyrrol-1-yl)acetamide
CID 53860573
2-(2,5-Dihydroxypyrrol-1-yl)acetaldehyde
CID 53865095

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dihydroxypyrrol-1-yl)-2-iodoacetamide?
The IUPAC name of 2-(2,5-dihydroxypyrrol-1-yl)-2-iodoacetamide (CID 57320492) is 2-(2,5-dihydroxypyrrol-1-yl)-2-iodoacetamide.
What is the SMILES notation for 2-(2,5-dihydroxypyrrol-1-yl)-2-iodoacetamide?
The canonical SMILES for 2-(2,5-dihydroxypyrrol-1-yl)-2-iodoacetamide is NC(=O)C(I)n1c(O)ccc1O.
What is the InChIKey of 2-(2,5-dihydroxypyrrol-1-yl)-2-iodoacetamide?
The InChIKey is AEONJYPGXQAQCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7IN2O3/c7-5(6(8)12)9-3(10)1-2-4(9)11/h1-2,5,10-11H,(H2,8,12).
What are the key properties of 2-(2,5-dihydroxypyrrol-1-yl)-2-iodoacetamide?
2-(2,5-dihydroxypyrrol-1-yl)-2-iodoacetamide has a molecular weight of 282.04 g/mol, XLogP of 0.32, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dihydroxypyrrol-1-yl)-2-iodoacetamide is sourced from PubChem (CID 57320492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).