4-acetyl-2-ethyl-3-hydroxy-1,2-dihydropyrrol-5-one;carbanide;zinc

C9H14NO3Zn- — CID 163590720

IUPAC4-acetyl-2-ethyl-3-hydroxy-1,2-dihydropyrrol-5-one;carbanide;zinc
SMILESCCC1NC(=O)C(C(C)=O)=C1O.[CH3-].[Zn]
InChIInChI=1S/C8H11NO3.CH3.Zn/c1-3-5-7(11)6(4(2)10)8(12)9-5;;/h5,11H,3H2,1-2H3,(H,9,12);1H3;/q;-1;
InChIKeyNQRDFYQYCGLHAO-UHFFFAOYSA-N
MW249.60 g/mol
LogP0.74
Rot. Bonds2

About 4-acetyl-2-ethyl-3-hydroxy-1,2-dihydropyrrol-5-one;carbanide;zinc

4-acetyl-2-ethyl-3-hydroxy-1,2-dihydropyrrol-5-one;carbanide;zinc (PubChem CID 163590720) has the molecular formula C9H14NO3Zn- and a molecular weight of 249.60 g/mol. Its IUPAC name is 4-acetyl-2-ethyl-3-hydroxy-1,2-dihydropyrrol-5-one;carbanide;zinc.

Molecular Properties

Compound Name4-acetyl-2-ethyl-3-hydroxy-1,2-dihydropyrrol-5-one;carbanide;zinc
PubChem CID163590720
Molecular FormulaC9H14NO3Zn-
Molecular Weight249.60 g/mol
Exact Mass248.03
IUPAC Name4-acetyl-2-ethyl-3-hydroxy-1,2-dihydropyrrol-5-one;carbanide;zinc
SMILESCCC1NC(=O)C(C(C)=O)=C1O.[CH3-].[Zn]
InChIInChI=1S/C8H11NO3.CH3.Zn/c1-3-5-7(11)6(4(2)10)8(12)9-5;;/h5,11H,3H2,1-2H3,(H,9,12);1H3;/q;-1;
InChIKeyNQRDFYQYCGLHAO-UHFFFAOYSA-N
XLogP0.74
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.60
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

Analyze 4-acetyl-2-ethyl-3-hydroxy-1,2-dihydropyrrol-5-one;carbanide;zinc 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 4-acetyl-2-ethyl-3-hydroxy-1,2-dihydropyrrol-5-one;carbanide;zinc?
The IUPAC name of 4-acetyl-2-ethyl-3-hydroxy-1,2-dihydropyrrol-5-one;carbanide;zinc (CID 163590720) is 4-acetyl-2-ethyl-3-hydroxy-1,2-dihydropyrrol-5-one;carbanide;zinc.
What is the SMILES notation for 4-acetyl-2-ethyl-3-hydroxy-1,2-dihydropyrrol-5-one;carbanide;zinc?
The canonical SMILES for 4-acetyl-2-ethyl-3-hydroxy-1,2-dihydropyrrol-5-one;carbanide;zinc is CCC1NC(=O)C(C(C)=O)=C1O.[CH3-].[Zn].
What is the InChIKey of 4-acetyl-2-ethyl-3-hydroxy-1,2-dihydropyrrol-5-one;carbanide;zinc?
The InChIKey is NQRDFYQYCGLHAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3.CH3.Zn/c1-3-5-7(11)6(4(2)10)8(12)9-5;;/h5,11H,3H2,1-2H3,(H,9,12);1H3;/q;-1;.
What are the key properties of 4-acetyl-2-ethyl-3-hydroxy-1,2-dihydropyrrol-5-one;carbanide;zinc?
4-acetyl-2-ethyl-3-hydroxy-1,2-dihydropyrrol-5-one;carbanide;zinc has a molecular weight of 249.60 g/mol, XLogP of 0.74, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-2-ethyl-3-hydroxy-1,2-dihydropyrrol-5-one;carbanide;zinc is sourced from PubChem (CID 163590720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).