2-cyano-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide

C11H11N3O3 — CID 135520643

IUPAC2-cyano-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
SMILESCOc1cc(/C=N/NC(=O)CC#N)ccc1O
InChIInChI=1S/C11H11N3O3/c1-17-10-6-8(2-3-9(10)15)7-13-14-11(16)4-5-12/h2-3,6-7,15H,4H2,1H3,(H,14,16)/b13-7+
InChIKeyBIZWTUHIFWSQOG-NTUHNPAUSA-N
MW233.23 g/mol
LogP0.76
Rot. Bonds4

About 2-cyano-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide

2-cyano-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide (PubChem CID 135520643) has the molecular formula C11H11N3O3 and a molecular weight of 233.23 g/mol. Its IUPAC name is 2-cyano-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-cyano-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
PubChem CID135520643
Molecular FormulaC11H11N3O3
Molecular Weight233.23 g/mol
Exact Mass233.08
IUPAC Name2-cyano-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
SMILESCOc1cc(/C=N/NC(=O)CC#N)ccc1O
InChIInChI=1S/C11H11N3O3/c1-17-10-6-8(2-3-9(10)15)7-13-14-11(16)4-5-12/h2-3,6-7,15H,4H2,1H3,(H,14,16)/b13-7+
InChIKeyBIZWTUHIFWSQOG-NTUHNPAUSA-N
XLogP0.76
TPSA94.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[(Z)-(3-methoxy-4-{[(2E)-3-phenylprop-2-en-1-yl]oxy}phenyl)methylidene]acetohydrazide
CID 25237262
N-[(E)-(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]acetamide
CID 9860400
2-Methoxy-4-[(4,5,6,7-tetrahydro-3H-azepin-2-yl)-hydrazonomethyl]-phenol
CID 135576363
Hydrazinecarbothioamide, 2-[(4-hydroxy-3-methoxyphenyl)methylene]-
CID 135434842
N-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]cyclopropanecarboxamide
CID 5334780
5-[(2E)-2-(4-hydroxy-3-methoxybenzylidene)hydrazinyl]-6-methyl-1,2,4-triazin-3-ol
CID 135412161
N'-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]oxamide
CID 135433201
N'-(3,4-dihydroxybenzylidene)cyclopropanecarbohydrazide
CID 135543352
N'-[(E)-(3-ethoxy-4-hydroxyphenyl)methylidene]cyclopentanecarbohydrazide
CID 135647873
N'-[(E)-(3-ethoxy-2-hydroxyphenyl)methylidene]cyclopentanecarbohydrazide
CID 135647876
N'-[(E)-(2-hydroxy-3-methoxyphenyl)methylidene]-6-oxo-1,6-dihydropyridazine-3-carbohydrazide
CID 135650553
Ethyl 2-(3-hydroxy-4-methoxybenzylidene)hydrazine-1-carboxylate
CID 6861615

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-cyano-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide (CID 135520643) is 2-cyano-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-cyano-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-cyano-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide is COc1cc(/C=N/NC(=O)CC#N)ccc1O.
What is the InChIKey of 2-cyano-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide?
The InChIKey is BIZWTUHIFWSQOG-NTUHNPAUSA-N. The full InChI is InChI=1S/C11H11N3O3/c1-17-10-6-8(2-3-9(10)15)7-13-14-11(16)4-5-12/h2-3,6-7,15H,4H2,1H3,(H,14,16)/b13-7+.
What are the key properties of 2-cyano-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide?
2-cyano-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide has a molecular weight of 233.23 g/mol, XLogP of 0.76, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 135520643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).