[methoxy(phenyl)methylidene]azanium chloride

C8H10ClNO — CID 11062861

IUPAC[methoxy(phenyl)methylidene]azanium chloride
SMILESCOC(=[NH2+])c1ccccc1.[Cl-]
InChIInChI=1S/C8H9NO.ClH/c1-10-8(9)7-5-3-2-4-6-7;/h2-6,9H,1H3;1H
InChIKeyHDJNHVNQRJMWSH-UHFFFAOYSA-N
MW171.63 g/mol
LogP-3.16
Rot. Bonds1

About [methoxy(phenyl)methylidene]azanium chloride

[methoxy(phenyl)methylidene]azanium chloride (PubChem CID 11062861) has the molecular formula C8H10ClNO and a molecular weight of 171.63 g/mol. Its IUPAC name is [methoxy(phenyl)methylidene]azanium chloride.

Molecular Properties

Compound Name[methoxy(phenyl)methylidene]azanium chloride
PubChem CID11062861
Molecular FormulaC8H10ClNO
Molecular Weight171.63 g/mol
Exact Mass171.05
IUPAC Name[methoxy(phenyl)methylidene]azanium chloride
SMILESCOC(=[NH2+])c1ccccc1.[Cl-]
InChIInChI=1S/C8H9NO.ClH/c1-10-8(9)7-5-3-2-4-6-7;/h2-6,9H,1H3;1H
InChIKeyHDJNHVNQRJMWSH-UHFFFAOYSA-N
XLogP-3.16
TPSA34.82 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.63
LogP ≤ 5-3.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[methoxy-(4-methoxycarbonylphenyl)methylidene]azanium chloride
CID 135905280
[ethoxy(phenyl)methylidene]azanium chloride
CID 11030512
[methoxy(phenyl)methylidene]manganese
CID 134898444
hydrazine;O-methyl benzenecarbothioate
CID 157129425
CID 157228504
CID 157228504
methyl benzoate;hydrate
CID 141218240
methyl 2,2-dihydroxy-3-oxo-3-phenylpropanoate
CID 10081832
methyl N-hydroxybenzenecarboximidate
CID 583889
ethane;methoxymethane;methyl benzoate
CID 90999424
methyl N-methylbenzenecarboximidate
CID 519475
methyl (2R)-2-cyano-3-oxo-3-phenylpropanoate
CID 98050501
methyl 2-benzoyl-2-hydroxy-3-oxobutanoate
CID 59771887

Frequently Asked Questions

What is the IUPAC name of [methoxy(phenyl)methylidene]azanium chloride?
The IUPAC name of [methoxy(phenyl)methylidene]azanium chloride (CID 11062861) is [methoxy(phenyl)methylidene]azanium chloride.
What is the SMILES notation for [methoxy(phenyl)methylidene]azanium chloride?
The canonical SMILES for [methoxy(phenyl)methylidene]azanium chloride is COC(=[NH2+])c1ccccc1.[Cl-].
What is the InChIKey of [methoxy(phenyl)methylidene]azanium chloride?
The InChIKey is HDJNHVNQRJMWSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO.ClH/c1-10-8(9)7-5-3-2-4-6-7;/h2-6,9H,1H3;1H.
What are the key properties of [methoxy(phenyl)methylidene]azanium chloride?
[methoxy(phenyl)methylidene]azanium chloride has a molecular weight of 171.63 g/mol, XLogP of -3.16, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [methoxy(phenyl)methylidene]azanium chloride is sourced from PubChem (CID 11062861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).