(Z)-2-acetyl-3-hydroxy-N'-phenylbut-2-enimidamide

C12H14N2O2 — CID 137183212

IUPAC(Z)-2-acetyl-3-hydroxy-N'-phenylbut-2-enimidamide
SMILESCC(=O)C(/C(N)=N/c1ccccc1)=C(/C)O
InChIInChI=1S/C12H14N2O2/c1-8(15)11(9(2)16)12(13)14-10-6-4-3-5-7-10/h3-7,15H,1-2H3,(H2,13,14)/b11-8+
InChIKeyBPDDBDCEULJYIE-DHZHZOJOSA-N
MW218.26 g/mol
LogP2.10
Rot. Bonds3

About (Z)-2-acetyl-3-hydroxy-N'-phenylbut-2-enimidamide

(Z)-2-acetyl-3-hydroxy-N'-phenylbut-2-enimidamide (PubChem CID 137183212) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is (Z)-2-acetyl-3-hydroxy-N'-phenylbut-2-enimidamide.

Molecular Properties

Compound Name(Z)-2-acetyl-3-hydroxy-N'-phenylbut-2-enimidamide
PubChem CID137183212
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name(Z)-2-acetyl-3-hydroxy-N'-phenylbut-2-enimidamide
SMILESCC(=O)C(/C(N)=N/c1ccccc1)=C(/C)O
InChIInChI=1S/C12H14N2O2/c1-8(15)11(9(2)16)12(13)14-10-6-4-3-5-7-10/h3-7,15H,1-2H3,(H2,13,14)/b11-8+
InChIKeyBPDDBDCEULJYIE-DHZHZOJOSA-N
XLogP2.10
TPSA75.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (Z)-2-acetyl-3-hydroxy-N'-phenylbut-2-enimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-phenyliminobutan-2-one
CID 12823040
[[(Z)-5-oxo-4-phenyliminohex-2-en-2-yl]amino]urea
CID 154721294
(Z)-3-amino-4-methyl-5-phenyl-5-phenyliminopent-3-en-2-one
CID 171543521
ethyl 3-oxo-2-phenyliminobutanoate
CID 12761518
2-N,3-N-diphenylbutane-2,3-diimine;dihydrochloride
CID 172723144
diphenyldiazene;urea
CID 175083568
bis(2-phenylguanidine);dihydrochloride
CID 160984545
deuteriomethane;ethane;2-phenylguanidine
CID 91130505
ethanol;2-phenylguanidine
CID 172840613
(3E,4Z)-3-benzylidene-4-(1-hydroxyethylidene)hexane-2,5-dione
CID 102207031
N-acetyl-N'-phenylcarbamimidoyl bromide
CID 137297946
N'-anilino-2-oxopropanimidamide
CID 6340113

Frequently Asked Questions

What is the IUPAC name of (Z)-2-acetyl-3-hydroxy-N'-phenylbut-2-enimidamide?
The IUPAC name of (Z)-2-acetyl-3-hydroxy-N'-phenylbut-2-enimidamide (CID 137183212) is (Z)-2-acetyl-3-hydroxy-N'-phenylbut-2-enimidamide.
What is the SMILES notation for (Z)-2-acetyl-3-hydroxy-N'-phenylbut-2-enimidamide?
The canonical SMILES for (Z)-2-acetyl-3-hydroxy-N'-phenylbut-2-enimidamide is CC(=O)C(/C(N)=N/c1ccccc1)=C(/C)O.
What is the InChIKey of (Z)-2-acetyl-3-hydroxy-N'-phenylbut-2-enimidamide?
The InChIKey is BPDDBDCEULJYIE-DHZHZOJOSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-8(15)11(9(2)16)12(13)14-10-6-4-3-5-7-10/h3-7,15H,1-2H3,(H2,13,14)/b11-8+.
What are the key properties of (Z)-2-acetyl-3-hydroxy-N'-phenylbut-2-enimidamide?
(Z)-2-acetyl-3-hydroxy-N'-phenylbut-2-enimidamide has a molecular weight of 218.26 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-acetyl-3-hydroxy-N'-phenylbut-2-enimidamide is sourced from PubChem (CID 137183212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).