(E)-3-(4-acetyl-1-methylpyrrol-2-yl)-N-hydroxyprop-2-enamide

C10H12N2O3 — CID 45269932

IUPAC(E)-3-(4-acetyl-1-methylpyrrol-2-yl)-N-hydroxyprop-2-enamide
SMILESCC(=O)c1cc(/C=C/C(=O)NO)n(C)c1
InChIInChI=1S/C10H12N2O3/c1-7(13)8-5-9(12(2)6-8)3-4-10(14)11-15/h3-6,15H,1-2H3,(H,11,14)/b4-3+
InChIKeyOISIBCCKGAJXLP-ONEGZZNKSA-N
MW208.22 g/mol
LogP0.75
Rot. Bonds3

About (E)-3-(4-acetyl-1-methylpyrrol-2-yl)-N-hydroxyprop-2-enamide

(E)-3-(4-acetyl-1-methylpyrrol-2-yl)-N-hydroxyprop-2-enamide (PubChem CID 45269932) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is (E)-3-(4-acetyl-1-methylpyrrol-2-yl)-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-acetyl-1-methylpyrrol-2-yl)-N-hydroxyprop-2-enamide
PubChem CID45269932
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Name(E)-3-(4-acetyl-1-methylpyrrol-2-yl)-N-hydroxyprop-2-enamide
SMILESCC(=O)c1cc(/C=C/C(=O)NO)n(C)c1
InChIInChI=1S/C10H12N2O3/c1-7(13)8-5-9(12(2)6-8)3-4-10(14)11-15/h3-6,15H,1-2H3,(H,11,14)/b4-3+
InChIKeyOISIBCCKGAJXLP-ONEGZZNKSA-N
XLogP0.75
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-acetyl-1-methylpyrrol-2-yl)-N-hydroxyprop-2-enamide?
The IUPAC name of (E)-3-(4-acetyl-1-methylpyrrol-2-yl)-N-hydroxyprop-2-enamide (CID 45269932) is (E)-3-(4-acetyl-1-methylpyrrol-2-yl)-N-hydroxyprop-2-enamide.
What is the SMILES notation for (E)-3-(4-acetyl-1-methylpyrrol-2-yl)-N-hydroxyprop-2-enamide?
The canonical SMILES for (E)-3-(4-acetyl-1-methylpyrrol-2-yl)-N-hydroxyprop-2-enamide is CC(=O)c1cc(/C=C/C(=O)NO)n(C)c1.
What is the InChIKey of (E)-3-(4-acetyl-1-methylpyrrol-2-yl)-N-hydroxyprop-2-enamide?
The InChIKey is OISIBCCKGAJXLP-ONEGZZNKSA-N. The full InChI is InChI=1S/C10H12N2O3/c1-7(13)8-5-9(12(2)6-8)3-4-10(14)11-15/h3-6,15H,1-2H3,(H,11,14)/b4-3+.
What are the key properties of (E)-3-(4-acetyl-1-methylpyrrol-2-yl)-N-hydroxyprop-2-enamide?
(E)-3-(4-acetyl-1-methylpyrrol-2-yl)-N-hydroxyprop-2-enamide has a molecular weight of 208.22 g/mol, XLogP of 0.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-acetyl-1-methylpyrrol-2-yl)-N-hydroxyprop-2-enamide is sourced from PubChem (CID 45269932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).