(2Z)-N'-ethenyl-2-methoxyimino-2-(2-methylphenyl)ethanimidamide

C12H15N3O — CID 18713749

IUPAC(2Z)-N'-ethenyl-2-methoxyimino-2-(2-methylphenyl)ethanimidamide
SMILESC=C/N=C(N)/C(=N\OC)c1ccccc1C
InChIInChI=1S/C12H15N3O/c1-4-14-12(13)11(15-16-3)10-8-6-5-7-9(10)2/h4-8H,1H2,2-3H3,(H2,13,14)/b15-11-
InChIKeySSUOMEHSPXCNIS-PTNGSMBKSA-N
MW217.27 g/mol
LogP1.85
Rot. Bonds4

About (2Z)-N'-ethenyl-2-methoxyimino-2-(2-methylphenyl)ethanimidamide

(2Z)-N'-ethenyl-2-methoxyimino-2-(2-methylphenyl)ethanimidamide (PubChem CID 18713749) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is (2Z)-N'-ethenyl-2-methoxyimino-2-(2-methylphenyl)ethanimidamide.

Molecular Properties

Compound Name(2Z)-N'-ethenyl-2-methoxyimino-2-(2-methylphenyl)ethanimidamide
PubChem CID18713749
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name(2Z)-N'-ethenyl-2-methoxyimino-2-(2-methylphenyl)ethanimidamide
SMILESC=C/N=C(N)/C(=N\OC)c1ccccc1C
InChIInChI=1S/C12H15N3O/c1-4-14-12(13)11(15-16-3)10-8-6-5-7-9(10)2/h4-8H,1H2,2-3H3,(H2,13,14)/b15-11-
InChIKeySSUOMEHSPXCNIS-PTNGSMBKSA-N
XLogP1.85
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-methoxy-1-(2-methylphenyl)pent-4-en-1-imine
CID 163212329
(2E)-2-ethoxyimino-2-(2-methylphenyl)acetamide
CID 155375401
(2Z)-2-ethoxyimino-2-(2-methylphenyl)acetamide
CID 155375402
[(Z)-1-(2-methylphenyl)ethylideneamino] acetate
CID 118122967
N'-[(Z)-[amino-(2-methylphenyl)methylidene]amino]-2-methylbenzenecarboximidamide
CID 145320912
(Z)-1-(2-methylphenyl)prop-1-en-1-amine
CID 126678655
acetaldehyde;(E)-1-(4-chlorophenyl)-N-methoxyethanimine;(E)-1-(4-chlorophenyl)-N-[1-(2-methylphenyl)ethenoxy]ethanimine
CID 142535260
2-methoxyimino-2-[2-(2-methylphenoxy)phenyl]acetic acid
CID 173358306
2-methylbenzamide;molecular hydrogen
CID 177161283
2-methoxyimino-N'-methyl-2-[2-(phenoxymethyl)phenyl]ethanimidamide
CID 139653553
N-[(3E)-3-[[2-[(E)-C-carbamothioyl-N-methoxycarbonimidoyl]-6-methylphenyl]methoxyimino]butan-2-ylidene]formamide
CID 59939733
(1E,3Z)-2-buta-1,3-dien-2-yl-1-(2-methylphenyl)penta-1,3-dien-1-amine
CID 146556302

Frequently Asked Questions

What is the IUPAC name of (2Z)-N'-ethenyl-2-methoxyimino-2-(2-methylphenyl)ethanimidamide?
The IUPAC name of (2Z)-N'-ethenyl-2-methoxyimino-2-(2-methylphenyl)ethanimidamide (CID 18713749) is (2Z)-N'-ethenyl-2-methoxyimino-2-(2-methylphenyl)ethanimidamide.
What is the SMILES notation for (2Z)-N'-ethenyl-2-methoxyimino-2-(2-methylphenyl)ethanimidamide?
The canonical SMILES for (2Z)-N'-ethenyl-2-methoxyimino-2-(2-methylphenyl)ethanimidamide is C=C/N=C(N)/C(=N\OC)c1ccccc1C.
What is the InChIKey of (2Z)-N'-ethenyl-2-methoxyimino-2-(2-methylphenyl)ethanimidamide?
The InChIKey is SSUOMEHSPXCNIS-PTNGSMBKSA-N. The full InChI is InChI=1S/C12H15N3O/c1-4-14-12(13)11(15-16-3)10-8-6-5-7-9(10)2/h4-8H,1H2,2-3H3,(H2,13,14)/b15-11-.
What are the key properties of (2Z)-N'-ethenyl-2-methoxyimino-2-(2-methylphenyl)ethanimidamide?
(2Z)-N'-ethenyl-2-methoxyimino-2-(2-methylphenyl)ethanimidamide has a molecular weight of 217.27 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N'-ethenyl-2-methoxyimino-2-(2-methylphenyl)ethanimidamide is sourced from PubChem (CID 18713749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).