methyl 2-methoxy-5-[(E)-methoxyiminomethyl]benzoate

C11H13NO4 — CID 90187627

IUPACmethyl 2-methoxy-5-[(E)-methoxyiminomethyl]benzoate
SMILESCO/N=C/c1ccc(OC)c(C(=O)OC)c1
InChIInChI=1S/C11H13NO4/c1-14-10-5-4-8(7-12-16-3)6-9(10)11(13)15-2/h4-7H,1-3H3/b12-7+
InChIKeyCAUNJUXTVFMXEZ-KPKJPENVSA-N
MW223.23 g/mol
LogP1.46
Rot. Bonds4

About methyl 2-methoxy-5-[(E)-methoxyiminomethyl]benzoate

methyl 2-methoxy-5-[(E)-methoxyiminomethyl]benzoate (PubChem CID 90187627) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is methyl 2-methoxy-5-[(E)-methoxyiminomethyl]benzoate.

Molecular Properties

Compound Namemethyl 2-methoxy-5-[(E)-methoxyiminomethyl]benzoate
PubChem CID90187627
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC Namemethyl 2-methoxy-5-[(E)-methoxyiminomethyl]benzoate
SMILESCO/N=C/c1ccc(OC)c(C(=O)OC)c1
InChIInChI=1S/C11H13NO4/c1-14-10-5-4-8(7-12-16-3)6-9(10)11(13)15-2/h4-7H,1-3H3/b12-7+
InChIKeyCAUNJUXTVFMXEZ-KPKJPENVSA-N
XLogP1.46
TPSA57.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(Z)-1-(3,4-dimethoxyphenyl)-N-methoxymethanimine
CID 5375403
methyl 2-methoxy-5-[(E)-2-phenylethenyl]benzoate
CID 155479645
methyl 5-(3-acetamido-3-oxoprop-1-enyl)-2-methoxybenzoate
CID 175374522
1-(3-bromo-4-methoxyphenyl)-N-methoxymethanimine
CID 4181314
2-hydroxy-5-[(E)-methoxyiminomethyl]benzoic acid
CID 135598743
5-[(E)-hydroxyiminomethyl]-2-methoxybenzoic acid
CID 126055980
methyl 5-[(2,5-dimethoxyphenyl)iminomethyl]-2-hydroxybenzoate
CID 135524534
N-(3,4-dimethoxyphenyl)-4-[(E)-methoxyiminomethyl]benzamide
CID 134059556
methyl 2-chloro-5-(hydroxyiminomethyl)benzoate
CID 118418732
ethane;methyl 2-methoxy-5-(4-methylphenyl)benzoate
CID 143170462
methyl 2-chloro-4-methanehydrazonoylbenzoate
CID 168530914
methyl 2-methoxy-5-[[3-(4-methylphenyl)prop-2-enoylamino]methyl]benzoate
CID 75618723

Frequently Asked Questions

What is the IUPAC name of methyl 2-methoxy-5-[(E)-methoxyiminomethyl]benzoate?
The IUPAC name of methyl 2-methoxy-5-[(E)-methoxyiminomethyl]benzoate (CID 90187627) is methyl 2-methoxy-5-[(E)-methoxyiminomethyl]benzoate.
What is the SMILES notation for methyl 2-methoxy-5-[(E)-methoxyiminomethyl]benzoate?
The canonical SMILES for methyl 2-methoxy-5-[(E)-methoxyiminomethyl]benzoate is CO/N=C/c1ccc(OC)c(C(=O)OC)c1.
What is the InChIKey of methyl 2-methoxy-5-[(E)-methoxyiminomethyl]benzoate?
The InChIKey is CAUNJUXTVFMXEZ-KPKJPENVSA-N. The full InChI is InChI=1S/C11H13NO4/c1-14-10-5-4-8(7-12-16-3)6-9(10)11(13)15-2/h4-7H,1-3H3/b12-7+.
What are the key properties of methyl 2-methoxy-5-[(E)-methoxyiminomethyl]benzoate?
methyl 2-methoxy-5-[(E)-methoxyiminomethyl]benzoate has a molecular weight of 223.23 g/mol, XLogP of 1.46, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methoxy-5-[(E)-methoxyiminomethyl]benzoate is sourced from PubChem (CID 90187627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).