methyl 4-(methyliminomethoxy)benzoate

C10H11NO3 — CID 23400396

IUPACmethyl 4-(methyliminomethoxy)benzoate
SMILESC/N=C/Oc1ccc(C(=O)OC)cc1
InChIInChI=1S/C10H11NO3/c1-11-7-14-9-5-3-8(4-6-9)10(12)13-2/h3-7H,1-2H3/b11-7+
InChIKeyFUPXXYJTPCEMCS-YRNVUSSQSA-N
MW193.20 g/mol
LogP1.51
Rot. Bonds3

About methyl 4-(methyliminomethoxy)benzoate

methyl 4-(methyliminomethoxy)benzoate (PubChem CID 23400396) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is methyl 4-(methyliminomethoxy)benzoate.

Molecular Properties

Compound Namemethyl 4-(methyliminomethoxy)benzoate
PubChem CID23400396
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Namemethyl 4-(methyliminomethoxy)benzoate
SMILESC/N=C/Oc1ccc(C(=O)OC)cc1
InChIInChI=1S/C10H11NO3/c1-11-7-14-9-5-3-8(4-6-9)10(12)13-2/h3-7H,1-2H3/b11-7+
InChIKeyFUPXXYJTPCEMCS-YRNVUSSQSA-N
XLogP1.51
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

formic acid;methyl 4-methoxybenzoate
CID 159779883
bis(4-methoxycarbonylphenyl) oxalate
CID 70400946
methyl 4-methoxycarbonyloxybenzoate
CID 584598
methyl 4-[4-(4-methoxyphenoxy)phenoxy]benzoate
CID 10315855
dimethyl benzene-1,4-dicarboxylate;urea
CID 138489958
methyl 4-prop-2-enoyloxybenzoate
CID 18402609
methyl 4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]benzoate
CID 77432563
methyl 4-(4-chlorobenzoyl)oxybenzoate
CID 4943503
methyl 4-(4-methoxycarbonylphenoxy)carbothioyloxybenzoate
CID 14022563
anisole;methyl 4-methoxybenzoate
CID 158093995
methyl 4-[4-(4-hydroxyphenoxy)phenoxy]benzoate
CID 10314933
methyl 4-[(E)-1-(methylideneamino)prop-1-enoxy]benzoate
CID 145152584

Frequently Asked Questions

What is the IUPAC name of methyl 4-(methyliminomethoxy)benzoate?
The IUPAC name of methyl 4-(methyliminomethoxy)benzoate (CID 23400396) is methyl 4-(methyliminomethoxy)benzoate.
What is the SMILES notation for methyl 4-(methyliminomethoxy)benzoate?
The canonical SMILES for methyl 4-(methyliminomethoxy)benzoate is C/N=C/Oc1ccc(C(=O)OC)cc1.
What is the InChIKey of methyl 4-(methyliminomethoxy)benzoate?
The InChIKey is FUPXXYJTPCEMCS-YRNVUSSQSA-N. The full InChI is InChI=1S/C10H11NO3/c1-11-7-14-9-5-3-8(4-6-9)10(12)13-2/h3-7H,1-2H3/b11-7+.
What are the key properties of methyl 4-(methyliminomethoxy)benzoate?
methyl 4-(methyliminomethoxy)benzoate has a molecular weight of 193.20 g/mol, XLogP of 1.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(methyliminomethoxy)benzoate is sourced from PubChem (CID 23400396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).