N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-methylprop-2-enamide

C11H12N2O2 — CID 135576426

IUPACN-[(E)-(2-hydroxyphenyl)methylideneamino]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)N/N=C/c1ccccc1O
InChIInChI=1S/C11H12N2O2/c1-8(2)11(15)13-12-7-9-5-3-4-6-10(9)14/h3-7,14H,1H2,2H3,(H,13,15)/b12-7+
InChIKeyLKAYUNVIPPSHGV-KPKJPENVSA-N
MW204.23 g/mol
LogP1.42
Rot. Bonds3

About N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-methylprop-2-enamide

N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-methylprop-2-enamide (PubChem CID 135576426) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxyphenyl)methylideneamino]-2-methylprop-2-enamide
PubChem CID135576426
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC NameN-[(E)-(2-hydroxyphenyl)methylideneamino]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)N/N=C/c1ccccc1O
InChIInChI=1S/C11H12N2O2/c1-8(2)11(15)13-12-7-9-5-3-4-6-10(9)14/h3-7,14H,1H2,2H3,(H,13,15)/b12-7+
InChIKeyLKAYUNVIPPSHGV-KPKJPENVSA-N
XLogP1.42
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-Hydroxybenzaldehyde semicarbazone
CID 135466838
Acetic (2-hydroxybenzylidene)hydrazide
CID 135442996
Nsc204792
CID 135459102
Mls002667267
CID 241689
4-Hydroxybenzaldehyde semicarbazone
CID 135400267
N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]cyclopropanecarboxamide
CID 135520028
N'-(2,4-dihydroxybenzylidene)cyclopropanecarbohydrazide
CID 135643065
N'-[(E)-(2-hydroxyphenyl)methylidene]cyclopentanecarbohydrazide
CID 135647875
(2E)-2-benzylidene-4-hydroxy-N'-[(E)-(2-hydroxyphenyl)methylidene]butanehydrazide
CID 135521411
2-{2-[1-(2-Hydroxyphenyl)propylidene]hydrazino}-2-oxoacetamide
CID 135521546
1,5-Bis(salicylidene)carbohydrazide
CID 96015
N-[(E)-[3-[(E)-(Acetylhydrazono)methyl]-2-hydroxy-5-isopropyl-phenyl]methyleneamino]acetamide
CID 135455074

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-methylprop-2-enamide?
The IUPAC name of N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-methylprop-2-enamide (CID 135576426) is N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-methylprop-2-enamide.
What is the SMILES notation for N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-methylprop-2-enamide?
The canonical SMILES for N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-methylprop-2-enamide is C=C(C)C(=O)N/N=C/c1ccccc1O.
What is the InChIKey of N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-methylprop-2-enamide?
The InChIKey is LKAYUNVIPPSHGV-KPKJPENVSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-8(2)11(15)13-12-7-9-5-3-4-6-10(9)14/h3-7,14H,1H2,2H3,(H,13,15)/b12-7+.
What are the key properties of N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-methylprop-2-enamide?
N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-methylprop-2-enamide has a molecular weight of 204.23 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-methylprop-2-enamide is sourced from PubChem (CID 135576426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).