N-[4-(2,5-dihydroxy-3-methylpyrrol-1-yl)phenyl]acetamide

C13H14N2O3 — CID 91573340

IUPACN-[4-(2,5-dihydroxy-3-methylpyrrol-1-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(-n2c(O)cc(C)c2O)cc1
InChIInChI=1S/C13H14N2O3/c1-8-7-12(17)15(13(8)18)11-5-3-10(4-6-11)14-9(2)16/h3-7,17-18H,1-2H3,(H,14,16)
InChIKeyZXOISNAGOLMSKO-UHFFFAOYSA-N
MW246.27 g/mol
LogP2.16
Rot. Bonds2

About N-[4-(2,5-dihydroxy-3-methylpyrrol-1-yl)phenyl]acetamide

N-[4-(2,5-dihydroxy-3-methylpyrrol-1-yl)phenyl]acetamide (PubChem CID 91573340) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is N-[4-(2,5-dihydroxy-3-methylpyrrol-1-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(2,5-dihydroxy-3-methylpyrrol-1-yl)phenyl]acetamide
PubChem CID91573340
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC NameN-[4-(2,5-dihydroxy-3-methylpyrrol-1-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(-n2c(O)cc(C)c2O)cc1
InChIInChI=1S/C13H14N2O3/c1-8-7-12(17)15(13(8)18)11-5-3-10(4-6-11)14-9(2)16/h3-7,17-18H,1-2H3,(H,14,16)
InChIKeyZXOISNAGOLMSKO-UHFFFAOYSA-N
XLogP2.16
TPSA74.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2,5-dihydroxy-3-methylpyrrol-1-yl)phenyl]acetamide?
The IUPAC name of N-[4-(2,5-dihydroxy-3-methylpyrrol-1-yl)phenyl]acetamide (CID 91573340) is N-[4-(2,5-dihydroxy-3-methylpyrrol-1-yl)phenyl]acetamide.
What is the SMILES notation for N-[4-(2,5-dihydroxy-3-methylpyrrol-1-yl)phenyl]acetamide?
The canonical SMILES for N-[4-(2,5-dihydroxy-3-methylpyrrol-1-yl)phenyl]acetamide is CC(=O)Nc1ccc(-n2c(O)cc(C)c2O)cc1.
What is the InChIKey of N-[4-(2,5-dihydroxy-3-methylpyrrol-1-yl)phenyl]acetamide?
The InChIKey is ZXOISNAGOLMSKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-8-7-12(17)15(13(8)18)11-5-3-10(4-6-11)14-9(2)16/h3-7,17-18H,1-2H3,(H,14,16).
What are the key properties of N-[4-(2,5-dihydroxy-3-methylpyrrol-1-yl)phenyl]acetamide?
N-[4-(2,5-dihydroxy-3-methylpyrrol-1-yl)phenyl]acetamide has a molecular weight of 246.27 g/mol, XLogP of 2.16, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,5-dihydroxy-3-methylpyrrol-1-yl)phenyl]acetamide is sourced from PubChem (CID 91573340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).