N-(1,2,5-trihydroxypyrrol-3-yl)acetamide

C6H8N2O4 — CID 54523654

IUPACN-(1,2,5-trihydroxypyrrol-3-yl)acetamide
SMILESCC(=O)Nc1cc(O)n(O)c1O
InChIInChI=1S/C6H8N2O4/c1-3(9)7-4-2-5(10)8(12)6(4)11/h2,10-12H,1H3,(H,7,9)
InChIKeyYRPCUHSOMMHCBM-UHFFFAOYSA-N
MW172.14 g/mol
LogP0.09
Rot. Bonds1

About N-(1,2,5-trihydroxypyrrol-3-yl)acetamide

N-(1,2,5-trihydroxypyrrol-3-yl)acetamide (PubChem CID 54523654) has the molecular formula C6H8N2O4 and a molecular weight of 172.14 g/mol. Its IUPAC name is N-(1,2,5-trihydroxypyrrol-3-yl)acetamide.

Molecular Properties

Compound NameN-(1,2,5-trihydroxypyrrol-3-yl)acetamide
PubChem CID54523654
Molecular FormulaC6H8N2O4
Molecular Weight172.14 g/mol
Exact Mass172.05
IUPAC NameN-(1,2,5-trihydroxypyrrol-3-yl)acetamide
SMILESCC(=O)Nc1cc(O)n(O)c1O
InChIInChI=1S/C6H8N2O4/c1-3(9)7-4-2-5(10)8(12)6(4)11/h2,10-12H,1H3,(H,7,9)
InChIKeyYRPCUHSOMMHCBM-UHFFFAOYSA-N
XLogP0.09
TPSA94.72 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.14
LogP ≤ 50.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1,2,5-trihydroxypyrrol-3-yl)acetamide?
The IUPAC name of N-(1,2,5-trihydroxypyrrol-3-yl)acetamide (CID 54523654) is N-(1,2,5-trihydroxypyrrol-3-yl)acetamide.
What is the SMILES notation for N-(1,2,5-trihydroxypyrrol-3-yl)acetamide?
The canonical SMILES for N-(1,2,5-trihydroxypyrrol-3-yl)acetamide is CC(=O)Nc1cc(O)n(O)c1O.
What is the InChIKey of N-(1,2,5-trihydroxypyrrol-3-yl)acetamide?
The InChIKey is YRPCUHSOMMHCBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O4/c1-3(9)7-4-2-5(10)8(12)6(4)11/h2,10-12H,1H3,(H,7,9).
What are the key properties of N-(1,2,5-trihydroxypyrrol-3-yl)acetamide?
N-(1,2,5-trihydroxypyrrol-3-yl)acetamide has a molecular weight of 172.14 g/mol, XLogP of 0.09, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,5-trihydroxypyrrol-3-yl)acetamide is sourced from PubChem (CID 54523654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).