N-(2,5-dihydroxy-1-methylpyrrol-3-yl)acetamide

C7H10N2O3 — CID 90961011

IUPACN-(2,5-dihydroxy-1-methylpyrrol-3-yl)acetamide
SMILESCC(=O)Nc1cc(O)n(C)c1O
InChIInChI=1S/C7H10N2O3/c1-4(10)8-5-3-6(11)9(2)7(5)12/h3,11-12H,1-2H3,(H,8,10)
InChIKeyDOMSYRXLYKJAHW-UHFFFAOYSA-N
MW170.17 g/mol
LogP0.39
Rot. Bonds1

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

N-(2,5-dihydroxy-1-methylpyrrol-3-yl)acetamide (PubChem CID 90961011) has the molecular formula C7H10N2O3 and a molecular weight of 170.17 g/mol. Its IUPAC name is N-(2,5-dihydroxy-1-methylpyrrol-3-yl)acetamide.

Molecular Properties

Compound NameN-(2,5-dihydroxy-1-methylpyrrol-3-yl)acetamide
PubChem CID90961011
Molecular FormulaC7H10N2O3
Molecular Weight170.17 g/mol
Exact Mass170.07
IUPAC NameN-(2,5-dihydroxy-1-methylpyrrol-3-yl)acetamide
SMILESCC(=O)Nc1cc(O)n(C)c1O
InChIInChI=1S/C7H10N2O3/c1-4(10)8-5-3-6(11)9(2)7(5)12/h3,11-12H,1-2H3,(H,8,10)
InChIKeyDOMSYRXLYKJAHW-UHFFFAOYSA-N
XLogP0.39
TPSA74.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-(2,5-dihydroxy-1-methylpyrrol-3-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dihydroxy-1-methylpyrrol-3-yl)acetamide?
The IUPAC name of N-(2,5-dihydroxy-1-methylpyrrol-3-yl)acetamide (CID 90961011) is N-(2,5-dihydroxy-1-methylpyrrol-3-yl)acetamide.
What is the SMILES notation for N-(2,5-dihydroxy-1-methylpyrrol-3-yl)acetamide?
The canonical SMILES for N-(2,5-dihydroxy-1-methylpyrrol-3-yl)acetamide is CC(=O)Nc1cc(O)n(C)c1O.
What is the InChIKey of N-(2,5-dihydroxy-1-methylpyrrol-3-yl)acetamide?
The InChIKey is DOMSYRXLYKJAHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3/c1-4(10)8-5-3-6(11)9(2)7(5)12/h3,11-12H,1-2H3,(H,8,10).
What are the key properties of N-(2,5-dihydroxy-1-methylpyrrol-3-yl)acetamide?
N-(2,5-dihydroxy-1-methylpyrrol-3-yl)acetamide has a molecular weight of 170.17 g/mol, XLogP of 0.39, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dihydroxy-1-methylpyrrol-3-yl)acetamide is sourced from PubChem (CID 90961011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).