N'-(2,5-dihydroxypyrrol-1-yl)oxamide

C6H7N3O4 — CID 57041348

IUPACN'-(2,5-dihydroxypyrrol-1-yl)oxamide
SMILESNC(=O)C(=O)Nn1c(O)ccc1O
InChIInChI=1S/C6H7N3O4/c7-5(12)6(13)8-9-3(10)1-2-4(9)11/h1-2,10-11H,(H2,7,12)(H,8,13)
InChIKeyNBTUQDGJSCGVMS-UHFFFAOYSA-N
MW185.14 g/mol
LogP-1.55
Rot. Bonds1

About N'-(2,5-dihydroxypyrrol-1-yl)oxamide

N'-(2,5-dihydroxypyrrol-1-yl)oxamide (PubChem CID 57041348) has the molecular formula C6H7N3O4 and a molecular weight of 185.14 g/mol. Its IUPAC name is N'-(2,5-dihydroxypyrrol-1-yl)oxamide.

Molecular Properties

Compound NameN'-(2,5-dihydroxypyrrol-1-yl)oxamide
PubChem CID57041348
Molecular FormulaC6H7N3O4
Molecular Weight185.14 g/mol
Exact Mass185.04
IUPAC NameN'-(2,5-dihydroxypyrrol-1-yl)oxamide
SMILESNC(=O)C(=O)Nn1c(O)ccc1O
InChIInChI=1S/C6H7N3O4/c7-5(12)6(13)8-9-3(10)1-2-4(9)11/h1-2,10-11H,(H2,7,12)(H,8,13)
InChIKeyNBTUQDGJSCGVMS-UHFFFAOYSA-N
XLogP-1.55
TPSA117.58 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.14
LogP ≤ 5-1.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', '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
(2,5-Dihydroxypyrrol-1-yl)-methylcarbamic acid
CID 57312252
1-Hydrazinylpyrrole-2,5-diol
CID 91148052
1-Nitrosopyrrole-2,5-diol
CID 136025201
(2,5-Dihydroxypyrrol-1-yl)urea
CID 53665703
2-Amino-1-(2,5-dihydroxypyrrol-1-yl)ethanone
CID 53766548
1-Aminopyrrole-2,5-diol
CID 53803811
N',N'-bis(2,5-dihydroxypyrrol-1-yl)butanediamide
CID 53857863
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

Frequently Asked Questions

What is the IUPAC name of N'-(2,5-dihydroxypyrrol-1-yl)oxamide?
The IUPAC name of N'-(2,5-dihydroxypyrrol-1-yl)oxamide (CID 57041348) is N'-(2,5-dihydroxypyrrol-1-yl)oxamide.
What is the SMILES notation for N'-(2,5-dihydroxypyrrol-1-yl)oxamide?
The canonical SMILES for N'-(2,5-dihydroxypyrrol-1-yl)oxamide is NC(=O)C(=O)Nn1c(O)ccc1O.
What is the InChIKey of N'-(2,5-dihydroxypyrrol-1-yl)oxamide?
The InChIKey is NBTUQDGJSCGVMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O4/c7-5(12)6(13)8-9-3(10)1-2-4(9)11/h1-2,10-11H,(H2,7,12)(H,8,13).
What are the key properties of N'-(2,5-dihydroxypyrrol-1-yl)oxamide?
N'-(2,5-dihydroxypyrrol-1-yl)oxamide has a molecular weight of 185.14 g/mol, XLogP of -1.55, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,5-dihydroxypyrrol-1-yl)oxamide is sourced from PubChem (CID 57041348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).