[methoxy-(4-methoxycarbonylphenyl)methylidene]azanium chloride

C10H12ClNO3 — CID 135905280

IUPAC[methoxy-(4-methoxycarbonylphenyl)methylidene]azanium chloride
SMILESCOC(=[NH2+])c1ccc(C(=O)OC)cc1.[Cl-]
InChIInChI=1S/C10H11NO3.ClH/c1-13-9(11)7-3-5-8(6-4-7)10(12)14-2;/h3-6,11H,1-2H3;1H
InChIKeyJBPPXFLNTLTIEP-UHFFFAOYSA-N
MW229.66 g/mol
LogP-3.37
Rot. Bonds2

About [methoxy-(4-methoxycarbonylphenyl)methylidene]azanium chloride

[methoxy-(4-methoxycarbonylphenyl)methylidene]azanium chloride (PubChem CID 135905280) has the molecular formula C10H12ClNO3 and a molecular weight of 229.66 g/mol. Its IUPAC name is [methoxy-(4-methoxycarbonylphenyl)methylidene]azanium chloride.

Molecular Properties

Compound Name[methoxy-(4-methoxycarbonylphenyl)methylidene]azanium chloride
PubChem CID135905280
Molecular FormulaC10H12ClNO3
Molecular Weight229.66 g/mol
Exact Mass229.05
IUPAC Name[methoxy-(4-methoxycarbonylphenyl)methylidene]azanium chloride
SMILESCOC(=[NH2+])c1ccc(C(=O)OC)cc1.[Cl-]
InChIInChI=1S/C10H11NO3.ClH/c1-13-9(11)7-3-5-8(6-4-7)10(12)14-2;/h3-6,11H,1-2H3;1H
InChIKeyJBPPXFLNTLTIEP-UHFFFAOYSA-N
XLogP-3.37
TPSA61.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.66
LogP ≤ 5-3.37
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'}

Analyze [methoxy-(4-methoxycarbonylphenyl)methylidene]azanium chloride 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

dimethyl benzene-1,4-dicarboxylate;urea
CID 138489958
methyl 4-methylbenzoate
CID 91113291
dimethyl benzene-1,4-dicarboxylate;ethane-1,2-diol
CID 19938676
iron;methyl 4-(4-methoxycarbonylphenyl)benzoate
CID 159353152
[methoxy(phenyl)methylidene]azanium chloride
CID 11062861
methyl 4-methylbenzoate
CID 7455
CID 67391169
CID 67391169
CID 131861804
CID 131861804
dimethyl benzene-1,4-dicarboxylate;methanol;terephthalic acid
CID 159205173
methyl 4-(2,2-dimethoxyacetyl)benzoate
CID 22033777
4-[2-(4-methoxycarbonylphenyl)-2-oxoacetyl]benzoic acid
CID 170457455
sodium 4-methoxycarbonylbenzenethiolate
CID 102377874

Frequently Asked Questions

What is the IUPAC name of [methoxy-(4-methoxycarbonylphenyl)methylidene]azanium chloride?
The IUPAC name of [methoxy-(4-methoxycarbonylphenyl)methylidene]azanium chloride (CID 135905280) is [methoxy-(4-methoxycarbonylphenyl)methylidene]azanium chloride.
What is the SMILES notation for [methoxy-(4-methoxycarbonylphenyl)methylidene]azanium chloride?
The canonical SMILES for [methoxy-(4-methoxycarbonylphenyl)methylidene]azanium chloride is COC(=[NH2+])c1ccc(C(=O)OC)cc1.[Cl-].
What is the InChIKey of [methoxy-(4-methoxycarbonylphenyl)methylidene]azanium chloride?
The InChIKey is JBPPXFLNTLTIEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3.ClH/c1-13-9(11)7-3-5-8(6-4-7)10(12)14-2;/h3-6,11H,1-2H3;1H.
What are the key properties of [methoxy-(4-methoxycarbonylphenyl)methylidene]azanium chloride?
[methoxy-(4-methoxycarbonylphenyl)methylidene]azanium chloride has a molecular weight of 229.66 g/mol, XLogP of -3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [methoxy-(4-methoxycarbonylphenyl)methylidene]azanium chloride is sourced from PubChem (CID 135905280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).