1-methoxy-2-(4-methylphenyl)iminoazaniumylideneethenolate

C10H10N2O2 — CID 15268985

IUPAC1-methoxy-2-(4-methylphenyl)iminoazaniumylideneethenolate
SMILESCOC([O-])=C=[N+]=Nc1ccc(C)cc1
InChIInChI=1S/C10H10N2O2/c1-8-3-5-9(6-4-8)12-11-7-10(13)14-2/h3-6H,1-2H3
InChIKeyPBDLLNPRDVQXAN-UHFFFAOYSA-N
MW190.20 g/mol
LogP0.80
Rot. Bonds2

About 1-methoxy-2-(4-methylphenyl)iminoazaniumylideneethenolate

1-methoxy-2-(4-methylphenyl)iminoazaniumylideneethenolate (PubChem CID 15268985) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is 1-methoxy-2-(4-methylphenyl)iminoazaniumylideneethenolate.

Molecular Properties

Compound Name1-methoxy-2-(4-methylphenyl)iminoazaniumylideneethenolate
PubChem CID15268985
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name1-methoxy-2-(4-methylphenyl)iminoazaniumylideneethenolate
SMILESCOC([O-])=C=[N+]=Nc1ccc(C)cc1
InChIInChI=1S/C10H10N2O2/c1-8-3-5-9(6-4-8)12-11-7-10(13)14-2/h3-6H,1-2H3
InChIKeyPBDLLNPRDVQXAN-UHFFFAOYSA-N
XLogP0.80
TPSA58.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

(2-hydroxy-2-methoxyethenylidene)-(4-methylphenyl)iminoazanium
CID 102462050
methyl N-(4-methylphenyl)-3-oxoprop-2-enimidate
CID 10487883
bis(4-methylphenyl)diazene
CID 10389
4-azido-N-(4-methylphenyl)benzenesulfonamide
CID 150364782
4-[(4-methylphenyl)diazenyl]phenol
CID 2827322
O-[(4-azidophenyl)methyl] N-(4-methylphenyl)carbamothioate
CID 154606080
N-methylmethanamine;1,4-xylene
CID 66760370
ethane;methanol;1,4-xylene
CID 171074418
methyl (1E)-4-methylbenzenecarbohydrazonate
CID 55253274
N-methoxy-1-(4-methylphenyl)ethenamine
CID 56975753
(2E)-N-hydroxy-2-hydroxyimino-N'-(4-methylphenyl)ethanimidamide
CID 137274253
methyl (2S)-2-[(4-methylphenyl)diazenyl]-3-oxobutanoate
CID 98564761

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-(4-methylphenyl)iminoazaniumylideneethenolate?
The IUPAC name of 1-methoxy-2-(4-methylphenyl)iminoazaniumylideneethenolate (CID 15268985) is 1-methoxy-2-(4-methylphenyl)iminoazaniumylideneethenolate.
What is the SMILES notation for 1-methoxy-2-(4-methylphenyl)iminoazaniumylideneethenolate?
The canonical SMILES for 1-methoxy-2-(4-methylphenyl)iminoazaniumylideneethenolate is COC([O-])=C=[N+]=Nc1ccc(C)cc1.
What is the InChIKey of 1-methoxy-2-(4-methylphenyl)iminoazaniumylideneethenolate?
The InChIKey is PBDLLNPRDVQXAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c1-8-3-5-9(6-4-8)12-11-7-10(13)14-2/h3-6H,1-2H3.
What are the key properties of 1-methoxy-2-(4-methylphenyl)iminoazaniumylideneethenolate?
1-methoxy-2-(4-methylphenyl)iminoazaniumylideneethenolate has a molecular weight of 190.20 g/mol, XLogP of 0.80, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-(4-methylphenyl)iminoazaniumylideneethenolate is sourced from PubChem (CID 15268985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).