N-[4-(2,5-dihydroxypyrrol-1-yl)phenyl]acetamide

C12H12N2O3 — CID 91447340

IUPACN-[4-(2,5-dihydroxypyrrol-1-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(-n2c(O)ccc2O)cc1
InChIInChI=1S/C12H12N2O3/c1-8(15)13-9-2-4-10(5-3-9)14-11(16)6-7-12(14)17/h2-7,16-17H,1H3,(H,13,15)
InChIKeyNFBKIRHFFCUWGD-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.85
Rot. Bonds2

About N-[4-(2,5-dihydroxypyrrol-1-yl)phenyl]acetamide

N-[4-(2,5-dihydroxypyrrol-1-yl)phenyl]acetamide (PubChem CID 91447340) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is N-[4-(2,5-dihydroxypyrrol-1-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(2,5-dihydroxypyrrol-1-yl)phenyl]acetamide
PubChem CID91447340
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC NameN-[4-(2,5-dihydroxypyrrol-1-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(-n2c(O)ccc2O)cc1
InChIInChI=1S/C12H12N2O3/c1-8(15)13-9-2-4-10(5-3-9)14-11(16)6-7-12(14)17/h2-7,16-17H,1H3,(H,13,15)
InChIKeyNFBKIRHFFCUWGD-UHFFFAOYSA-N
XLogP1.85
TPSA74.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.85
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-dihydroxypyrrol-1-yl)phenyl]acetamide?
The IUPAC name of N-[4-(2,5-dihydroxypyrrol-1-yl)phenyl]acetamide (CID 91447340) is N-[4-(2,5-dihydroxypyrrol-1-yl)phenyl]acetamide.
What is the SMILES notation for N-[4-(2,5-dihydroxypyrrol-1-yl)phenyl]acetamide?
The canonical SMILES for N-[4-(2,5-dihydroxypyrrol-1-yl)phenyl]acetamide is CC(=O)Nc1ccc(-n2c(O)ccc2O)cc1.
What is the InChIKey of N-[4-(2,5-dihydroxypyrrol-1-yl)phenyl]acetamide?
The InChIKey is NFBKIRHFFCUWGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c1-8(15)13-9-2-4-10(5-3-9)14-11(16)6-7-12(14)17/h2-7,16-17H,1H3,(H,13,15).
What are the key properties of N-[4-(2,5-dihydroxypyrrol-1-yl)phenyl]acetamide?
N-[4-(2,5-dihydroxypyrrol-1-yl)phenyl]acetamide has a molecular weight of 232.24 g/mol, XLogP of 1.85, 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-dihydroxypyrrol-1-yl)phenyl]acetamide is sourced from PubChem (CID 91447340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).