(Z)-3-hydroxy-2-methanimidoyl-N-phenylbut-2-enamide

C11H12N2O2 — CID 137099058

IUPAC(Z)-3-hydroxy-2-methanimidoyl-N-phenylbut-2-enamide
SMILES[H]/N=C/C(C(=O)Nc1ccccc1)=C(\C)O
InChIInChI=1S/C11H12N2O2/c1-8(14)10(7-12)11(15)13-9-5-3-2-4-6-9/h2-7,12,14H,1H3,(H,13,15)/b10-8-,12-7+
InChIKeyVBIIVNMBNIBYNA-GJIIZVESSA-N
MW204.23 g/mol
LogP2.11
Rot. Bonds3

About (Z)-3-hydroxy-2-methanimidoyl-N-phenylbut-2-enamide

(Z)-3-hydroxy-2-methanimidoyl-N-phenylbut-2-enamide (PubChem CID 137099058) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is (Z)-3-hydroxy-2-methanimidoyl-N-phenylbut-2-enamide.

Molecular Properties

Compound Name(Z)-3-hydroxy-2-methanimidoyl-N-phenylbut-2-enamide
PubChem CID137099058
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name(Z)-3-hydroxy-2-methanimidoyl-N-phenylbut-2-enamide
SMILES[H]/N=C/C(C(=O)Nc1ccccc1)=C(\C)O
InChIInChI=1S/C11H12N2O2/c1-8(14)10(7-12)11(15)13-9-5-3-2-4-6-9/h2-7,12,14H,1H3,(H,13,15)/b10-8-,12-7+
InChIKeyVBIIVNMBNIBYNA-GJIIZVESSA-N
XLogP2.11
TPSA73.18 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 52.11
H-Bond Donors ≤ 53
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-3-hydroxy-N-phenyl-2-(phenyliminomethyl)but-2-enamide
CID 135427204
(E)-3-hydroxy-2-methanimidoylbut-2-enoic acid
CID 135706819
(E)-N',2-dimethyl-N-phenylbut-2-enediamide
CID 69341649
(E)-3-anilinobut-2-enoic acid
CID 89350388
cobalt;N-phenylacetamide
CID 158689050
(E)-2-bromo-4-imino-3-methyl-N-(3-methylphenyl)but-2-enamide
CID 143713446
N-phenyl-2-trimethylsilylpenta-2,3-dienamide
CID 57374215
(Z)-2-methyl-3-(methylamino)-N-phenylbut-2-enamide
CID 70960210
N'-(3-acetamidophenyl)-N-phenyloxamide
CID 45001278
(E)-2-[[3,5-bis(trifluoromethyl)phenyl]iminomethyl]-3-hydroxy-N-phenylbut-2-enamide
CID 135522887
(E)-2,4,4-trimethyl-N-phenylpent-2-enamide
CID 14383795
(Z)-3-amino-4-imino-N-(4-methylphenyl)-2-(4-phenylphenoxy)but-2-enamide
CID 142829783

Frequently Asked Questions

What is the IUPAC name of (Z)-3-hydroxy-2-methanimidoyl-N-phenylbut-2-enamide?
The IUPAC name of (Z)-3-hydroxy-2-methanimidoyl-N-phenylbut-2-enamide (CID 137099058) is (Z)-3-hydroxy-2-methanimidoyl-N-phenylbut-2-enamide.
What is the SMILES notation for (Z)-3-hydroxy-2-methanimidoyl-N-phenylbut-2-enamide?
The canonical SMILES for (Z)-3-hydroxy-2-methanimidoyl-N-phenylbut-2-enamide is [H]/N=C/C(C(=O)Nc1ccccc1)=C(\C)O.
What is the InChIKey of (Z)-3-hydroxy-2-methanimidoyl-N-phenylbut-2-enamide?
The InChIKey is VBIIVNMBNIBYNA-GJIIZVESSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-8(14)10(7-12)11(15)13-9-5-3-2-4-6-9/h2-7,12,14H,1H3,(H,13,15)/b10-8-,12-7+.
What are the key properties of (Z)-3-hydroxy-2-methanimidoyl-N-phenylbut-2-enamide?
(Z)-3-hydroxy-2-methanimidoyl-N-phenylbut-2-enamide has a molecular weight of 204.23 g/mol, XLogP of 2.11, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-hydroxy-2-methanimidoyl-N-phenylbut-2-enamide is sourced from PubChem (CID 137099058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).