(2E)-N-hydroxy-2-hydroxyimino-N'-(4-methylphenyl)ethanimidamide

C9H11N3O2 — CID 137274253

IUPAC(2E)-N-hydroxy-2-hydroxyimino-N'-(4-methylphenyl)ethanimidamide
SMILESCc1ccc(/N=C(/C=N/O)NO)cc1
InChIInChI=1S/C9H11N3O2/c1-7-2-4-8(5-3-7)11-9(12-14)6-10-13/h2-6,13-14H,1H3,(H,11,12)/b10-6+
InChIKeyUANUDLIWKUTRPA-UXBLZVDNSA-N
MW193.21 g/mol
LogP1.46
Rot. Bonds2

About (2E)-N-hydroxy-2-hydroxyimino-N'-(4-methylphenyl)ethanimidamide

(2E)-N-hydroxy-2-hydroxyimino-N'-(4-methylphenyl)ethanimidamide (PubChem CID 137274253) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is (2E)-N-hydroxy-2-hydroxyimino-N'-(4-methylphenyl)ethanimidamide.

Molecular Properties

Compound Name(2E)-N-hydroxy-2-hydroxyimino-N'-(4-methylphenyl)ethanimidamide
PubChem CID137274253
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC Name(2E)-N-hydroxy-2-hydroxyimino-N'-(4-methylphenyl)ethanimidamide
SMILESCc1ccc(/N=C(/C=N/O)NO)cc1
InChIInChI=1S/C9H11N3O2/c1-7-2-4-8(5-3-7)11-9(12-14)6-10-13/h2-6,13-14H,1H3,(H,11,12)/b10-6+
InChIKeyUANUDLIWKUTRPA-UXBLZVDNSA-N
XLogP1.46
TPSA77.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-hydroxy-N'-[4-[[4-[[1-(hydroxyamino)-2-hydroxyiminoethylidene]amino]phenyl]methyl]phenyl]-2-hydroxyiminoethanimidamide
CID 135408999
azane;2-(4-methylphenyl)guanidine
CID 172751004
2-(4-methylphenyl)guanidine;hydrochloride
CID 3028500
2-(benzylidenehydrazinylidene)-N-hydroxy-N'-(4-methylphenyl)propanimidamide
CID 168664778
N-hydroxy-N'-(4-methylphenyl)thiophene-2-carboximidamide
CID 611980
Selenourea, N,N'-bis(4-methylphenyl)-
CID 6329260
methyl N-(4-methylphenyl)-3-oxoprop-2-enimidate
CID 10487883
[N'-(4-methylphenyl)carbamimidoyl]urea
CID 135406039
bis(4-methylphenyl)diazene
CID 10389
N-hydroxy-4-methyl-N'-(3-methylphenyl)benzenecarboximidamide
CID 12966219
[(Z)-[1-(hydroxyamino)-1-(4-methylphenyl)iminopropan-2-ylidene]amino]thiourea
CID 135804052
N'-(4-methylphenyl)piperidine-1-carboximidamide
CID 11310498

Frequently Asked Questions

What is the IUPAC name of (2E)-N-hydroxy-2-hydroxyimino-N'-(4-methylphenyl)ethanimidamide?
The IUPAC name of (2E)-N-hydroxy-2-hydroxyimino-N'-(4-methylphenyl)ethanimidamide (CID 137274253) is (2E)-N-hydroxy-2-hydroxyimino-N'-(4-methylphenyl)ethanimidamide.
What is the SMILES notation for (2E)-N-hydroxy-2-hydroxyimino-N'-(4-methylphenyl)ethanimidamide?
The canonical SMILES for (2E)-N-hydroxy-2-hydroxyimino-N'-(4-methylphenyl)ethanimidamide is Cc1ccc(/N=C(/C=N/O)NO)cc1.
What is the InChIKey of (2E)-N-hydroxy-2-hydroxyimino-N'-(4-methylphenyl)ethanimidamide?
The InChIKey is UANUDLIWKUTRPA-UXBLZVDNSA-N. The full InChI is InChI=1S/C9H11N3O2/c1-7-2-4-8(5-3-7)11-9(12-14)6-10-13/h2-6,13-14H,1H3,(H,11,12)/b10-6+.
What are the key properties of (2E)-N-hydroxy-2-hydroxyimino-N'-(4-methylphenyl)ethanimidamide?
(2E)-N-hydroxy-2-hydroxyimino-N'-(4-methylphenyl)ethanimidamide has a molecular weight of 193.21 g/mol, XLogP of 1.46, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-hydroxy-2-hydroxyimino-N'-(4-methylphenyl)ethanimidamide is sourced from PubChem (CID 137274253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).