N-[(2,5-dihydroxypyrrol-1-yl)methyl]-2-iodoacetamide

C7H9IN2O3 — CID 57219028

IUPACN-[(2,5-dihydroxypyrrol-1-yl)methyl]-2-iodoacetamide
SMILESO=C(CI)NCn1c(O)ccc1O
InChIInChI=1S/C7H9IN2O3/c8-3-5(11)9-4-10-6(12)1-2-7(10)13/h1-2,12-13H,3-4H2,(H,9,11)
InChIKeyUGMJWVGQXNNXBN-UHFFFAOYSA-N
MW296.06 g/mol
LogP0.41
Rot. Bonds3

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

N-[(2,5-dihydroxypyrrol-1-yl)methyl]-2-iodoacetamide (PubChem CID 57219028) has the molecular formula C7H9IN2O3 and a molecular weight of 296.06 g/mol. Its IUPAC name is N-[(2,5-dihydroxypyrrol-1-yl)methyl]-2-iodoacetamide.

Molecular Properties

Compound NameN-[(2,5-dihydroxypyrrol-1-yl)methyl]-2-iodoacetamide
PubChem CID57219028
Molecular FormulaC7H9IN2O3
Molecular Weight296.06 g/mol
Exact Mass295.97
IUPAC NameN-[(2,5-dihydroxypyrrol-1-yl)methyl]-2-iodoacetamide
SMILESO=C(CI)NCn1c(O)ccc1O
InChIInChI=1S/C7H9IN2O3/c8-3-5(11)9-4-10-6(12)1-2-7(10)13/h1-2,12-13H,3-4H2,(H,9,11)
InChIKeyUGMJWVGQXNNXBN-UHFFFAOYSA-N
XLogP0.41
TPSA74.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.06
LogP ≤ 50.41
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

N-[5-(2,5-dihydroxypyrrol-1-yl)pentyl]-5-fluoro-2,4-dioxopyrimidine-1-carboxamide
CID 54505583
2,5-Dihydroxypyrrole-1-carboxamide
CID 53694232
N-[2-(2,5-dihydroxypyrrol-1-yl)ethyl]prop-2-enamide
CID 53737679
2-(2,5-Dihydroxypyrrol-1-yl)acetamide
CID 53860573
1-(2-Aminoethyl)pyrrole-2,5-diol
CID 53867567
1-[(Dimethylamino)methyl]pyrrole-2,5-diol
CID 53928629
1-(2,5-Dihydroxypyrrol-1-yl)-2-iodoethanone
CID 54545557
3-(2,5-Dihydroxypyrrol-1-yl)propanamide
CID 54572257
2-(2,5-Dihydroxypyrrol-1-yl)-2-iodoacetamide
CID 57320492
4-(2,5-dihydroxypyrrol-1-yl)-N-methylbutanamide
CID 90861012
7-(2,5-Dihydroxypyrrol-1-yl)azepan-2-one
CID 91109205
1-(3-Aminopropyl)pyrrole-2,5-diol
CID 91145432

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dihydroxypyrrol-1-yl)methyl]-2-iodoacetamide?
The IUPAC name of N-[(2,5-dihydroxypyrrol-1-yl)methyl]-2-iodoacetamide (CID 57219028) is N-[(2,5-dihydroxypyrrol-1-yl)methyl]-2-iodoacetamide.
What is the SMILES notation for N-[(2,5-dihydroxypyrrol-1-yl)methyl]-2-iodoacetamide?
The canonical SMILES for N-[(2,5-dihydroxypyrrol-1-yl)methyl]-2-iodoacetamide is O=C(CI)NCn1c(O)ccc1O.
What is the InChIKey of N-[(2,5-dihydroxypyrrol-1-yl)methyl]-2-iodoacetamide?
The InChIKey is UGMJWVGQXNNXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9IN2O3/c8-3-5(11)9-4-10-6(12)1-2-7(10)13/h1-2,12-13H,3-4H2,(H,9,11).
What are the key properties of N-[(2,5-dihydroxypyrrol-1-yl)methyl]-2-iodoacetamide?
N-[(2,5-dihydroxypyrrol-1-yl)methyl]-2-iodoacetamide has a molecular weight of 296.06 g/mol, XLogP of 0.41, 3 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)methyl]-2-iodoacetamide is sourced from PubChem (CID 57219028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).