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

C6H7IN2O3 — CID 54125293

IUPACN-(2,5-dihydroxypyrrol-1-yl)-2-iodoacetamide
SMILESO=C(CI)Nn1c(O)ccc1O
InChIInChI=1S/C6H7IN2O3/c7-3-4(10)8-9-5(11)1-2-6(9)12/h1-2,11-12H,3H2,(H,8,10)
InChIKeyNQNKPTPHYMWDFK-UHFFFAOYSA-N
MW282.04 g/mol
LogP0.40
Rot. Bonds2

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

N-(2,5-dihydroxypyrrol-1-yl)-2-iodoacetamide (PubChem CID 54125293) has the molecular formula C6H7IN2O3 and a molecular weight of 282.04 g/mol. Its IUPAC name is N-(2,5-dihydroxypyrrol-1-yl)-2-iodoacetamide.

Molecular Properties

Compound NameN-(2,5-dihydroxypyrrol-1-yl)-2-iodoacetamide
PubChem CID54125293
Molecular FormulaC6H7IN2O3
Molecular Weight282.04 g/mol
Exact Mass281.95
IUPAC NameN-(2,5-dihydroxypyrrol-1-yl)-2-iodoacetamide
SMILESO=C(CI)Nn1c(O)ccc1O
InChIInChI=1S/C6H7IN2O3/c7-3-4(10)8-9-5(11)1-2-6(9)12/h1-2,11-12H,3H2,(H,8,10)
InChIKeyNQNKPTPHYMWDFK-UHFFFAOYSA-N
XLogP0.40
TPSA74.49 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 ≤ 50.40
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

(2,5-Dihydroxypyrrol-1-yl)carbamic acid
CID 53961144
1-(2,5-Dihydroxypyrrol-1-yl)pyrrole-2,5-dione
CID 57001223
1-Hydrazinylpyrrole-2,5-diol
CID 91148052
(2,5-Dihydroxypyrrol-1-yl)urea
CID 53665703
1-Aminopyrrole-2,5-diol
CID 53803811
N-(2,5-dihydroxypyrrol-1-yl)-N-methylacetamide
CID 53864344
N-(2,5-dihydroxypyrrol-1-yl)formamide
CID 53887383
N'-(2,5-dihydroxypyrrol-1-yl)butanediamide
CID 54082843
(2,5-Dihydroxypyrrol-1-yl) 3-[2-(2-iodoacetyl)hydrazinyl]propanoate
CID 54240844
(2,5-Dihydroxypyrrol-1-yl)-hydroxycarbamic acid
CID 54462138
1-(2,5-Dihydroxypyrrol-1-yl)-2-iodoethanone
CID 54545557
N'-(2,5-dihydroxypyrrol-1-yl)oxamide
CID 57041348

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dihydroxypyrrol-1-yl)-2-iodoacetamide?
The IUPAC name of N-(2,5-dihydroxypyrrol-1-yl)-2-iodoacetamide (CID 54125293) is N-(2,5-dihydroxypyrrol-1-yl)-2-iodoacetamide.
What is the SMILES notation for N-(2,5-dihydroxypyrrol-1-yl)-2-iodoacetamide?
The canonical SMILES for N-(2,5-dihydroxypyrrol-1-yl)-2-iodoacetamide is O=C(CI)Nn1c(O)ccc1O.
What is the InChIKey of N-(2,5-dihydroxypyrrol-1-yl)-2-iodoacetamide?
The InChIKey is NQNKPTPHYMWDFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7IN2O3/c7-3-4(10)8-9-5(11)1-2-6(9)12/h1-2,11-12H,3H2,(H,8,10).
What are the key properties of N-(2,5-dihydroxypyrrol-1-yl)-2-iodoacetamide?
N-(2,5-dihydroxypyrrol-1-yl)-2-iodoacetamide has a molecular weight of 282.04 g/mol, XLogP of 0.40, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dihydroxypyrrol-1-yl)-2-iodoacetamide is sourced from PubChem (CID 54125293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).