methyl N-[(E)-(2-hydroxy-3-methylphenyl)methylideneamino]carbamate

C10H12N2O3 — CID 135578391

IUPACmethyl N-[(E)-(2-hydroxy-3-methylphenyl)methylideneamino]carbamate
SMILESCOC(=O)N/N=C/c1cccc(C)c1O
InChIInChI=1S/C10H12N2O3/c1-7-4-3-5-8(9(7)13)6-11-12-10(14)15-2/h3-6,13H,1-2H3,(H,12,14)/b11-6+
InChIKeyAYZXJWPJQOSJTB-IZZDOVSWSA-N
MW208.22 g/mol
LogP1.39
Rot. Bonds2

About methyl N-[(E)-(2-hydroxy-3-methylphenyl)methylideneamino]carbamate

methyl N-[(E)-(2-hydroxy-3-methylphenyl)methylideneamino]carbamate (PubChem CID 135578391) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is methyl N-[(E)-(2-hydroxy-3-methylphenyl)methylideneamino]carbamate.

Molecular Properties

Compound Namemethyl N-[(E)-(2-hydroxy-3-methylphenyl)methylideneamino]carbamate
PubChem CID135578391
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Namemethyl N-[(E)-(2-hydroxy-3-methylphenyl)methylideneamino]carbamate
SMILESCOC(=O)N/N=C/c1cccc(C)c1O
InChIInChI=1S/C10H12N2O3/c1-7-4-3-5-8(9(7)13)6-11-12-10(14)15-2/h3-6,13H,1-2H3,(H,12,14)/b11-6+
InChIKeyAYZXJWPJQOSJTB-IZZDOVSWSA-N
XLogP1.39
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl N-[(E)-(2-hydroxy-3-methylphenyl)methylideneamino]carbamate 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

methyl N-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]carbamate
CID 2643022
methyl N-[(Z)-(2-hydroxy-5-iodo-3-methylphenyl)methylideneamino]carbamate
CID 135922579
4-bromo-N-[(Z)-(2-hydroxy-3-methylphenyl)methylideneamino]benzamide
CID 135458900
ethyl N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]carbamate
CID 135458848
2-hydroxy-N-[(E)-(2-hydroxy-3-methylphenyl)methylideneamino]-2,2-diphenylacetamide
CID 135533066
2-(2,3-dimethylphenoxy)-N-[(E)-(2-hydroxy-3-methylphenyl)methylideneamino]acetamide
CID 135590182
N-[(E)-(2-hydroxy-3-methylphenyl)methylideneamino]spiro[2.3]hexane-2-carboxamide
CID 137253718
N-[(E)-(2-hydroxy-3-methylphenyl)methylideneamino]-2-(3-hydroxyphenyl)acetamide
CID 135502640
4-[[(2-hydroxy-3-methylphenyl)methylideneamino]carbamothioylamino]benzoic acid
CID 136601679
octakis(holmium(3+));octakis(2-methoxy-6-[(E)-(methoxycarbonylhydrazinylidene)methyl]phenolate);tetrakis(oxygen(2-));tetraacetate;dicarbonate
CID 139179069
ethyl N-[(E)-(2-methylphenyl)methylideneamino]carbamate
CID 6861612
methyl N-[(Z)-(2-chloro-8-methylquinolin-3-yl)methylideneamino]carbamate
CID 9075519

Frequently Asked Questions

What is the IUPAC name of methyl N-[(E)-(2-hydroxy-3-methylphenyl)methylideneamino]carbamate?
The IUPAC name of methyl N-[(E)-(2-hydroxy-3-methylphenyl)methylideneamino]carbamate (CID 135578391) is methyl N-[(E)-(2-hydroxy-3-methylphenyl)methylideneamino]carbamate.
What is the SMILES notation for methyl N-[(E)-(2-hydroxy-3-methylphenyl)methylideneamino]carbamate?
The canonical SMILES for methyl N-[(E)-(2-hydroxy-3-methylphenyl)methylideneamino]carbamate is COC(=O)N/N=C/c1cccc(C)c1O.
What is the InChIKey of methyl N-[(E)-(2-hydroxy-3-methylphenyl)methylideneamino]carbamate?
The InChIKey is AYZXJWPJQOSJTB-IZZDOVSWSA-N. The full InChI is InChI=1S/C10H12N2O3/c1-7-4-3-5-8(9(7)13)6-11-12-10(14)15-2/h3-6,13H,1-2H3,(H,12,14)/b11-6+.
What are the key properties of methyl N-[(E)-(2-hydroxy-3-methylphenyl)methylideneamino]carbamate?
methyl N-[(E)-(2-hydroxy-3-methylphenyl)methylideneamino]carbamate has a molecular weight of 208.22 g/mol, XLogP of 1.39, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(E)-(2-hydroxy-3-methylphenyl)methylideneamino]carbamate is sourced from PubChem (CID 135578391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).