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

C8H12N2O3 — CID 123298330

IUPAC2-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N-methylacetamide
SMILESCNC(=O)Cn1c(O)cc(C)c1O
InChIInChI=1S/C8H12N2O3/c1-5-3-7(12)10(8(5)13)4-6(11)9-2/h3,12-13H,4H2,1-2H3,(H,9,11)
InChIKeyYOZFATUHTZTASM-UHFFFAOYSA-N
MW184.19 g/mol
LogP-0.05
Rot. Bonds2

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

2-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N-methylacetamide (PubChem CID 123298330) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is 2-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N-methylacetamide.

Molecular Properties

Compound Name2-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N-methylacetamide
PubChem CID123298330
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Name2-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N-methylacetamide
SMILESCNC(=O)Cn1c(O)cc(C)c1O
InChIInChI=1S/C8H12N2O3/c1-5-3-7(12)10(8(5)13)4-6(11)9-2/h3,12-13H,4H2,1-2H3,(H,9,11)
InChIKeyYOZFATUHTZTASM-UHFFFAOYSA-N
XLogP-0.05
TPSA74.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N-methylacetamide?
The IUPAC name of 2-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N-methylacetamide (CID 123298330) is 2-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N-methylacetamide.
What is the SMILES notation for 2-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N-methylacetamide?
The canonical SMILES for 2-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N-methylacetamide is CNC(=O)Cn1c(O)cc(C)c1O.
What is the InChIKey of 2-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N-methylacetamide?
The InChIKey is YOZFATUHTZTASM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3/c1-5-3-7(12)10(8(5)13)4-6(11)9-2/h3,12-13H,4H2,1-2H3,(H,9,11).
What are the key properties of 2-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N-methylacetamide?
2-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N-methylacetamide has a molecular weight of 184.19 g/mol, XLogP of -0.05, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N-methylacetamide is sourced from PubChem (CID 123298330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).