methyl (E)-3-[5-methoxy-2-[(E)-methoxyiminomethyl]phenyl]prop-2-enoate

C13H15NO4 — CID 59052802

IUPACmethyl (E)-3-[5-methoxy-2-[(E)-methoxyiminomethyl]phenyl]prop-2-enoate
SMILESCO/N=C/c1ccc(OC)cc1/C=C/C(=O)OC
InChIInChI=1S/C13H15NO4/c1-16-12-6-4-11(9-14-18-3)10(8-12)5-7-13(15)17-2/h4-9H,1-3H3/b7-5+,14-9+
InChIKeyRKZNIQYFZNSHES-WYMAPRSLSA-N
MW249.27 g/mol
LogP1.86
Rot. Bonds5

About methyl (E)-3-[5-methoxy-2-[(E)-methoxyiminomethyl]phenyl]prop-2-enoate

methyl (E)-3-[5-methoxy-2-[(E)-methoxyiminomethyl]phenyl]prop-2-enoate (PubChem CID 59052802) has the molecular formula C13H15NO4 and a molecular weight of 249.27 g/mol. Its IUPAC name is methyl (E)-3-[5-methoxy-2-[(E)-methoxyiminomethyl]phenyl]prop-2-enoate.

Molecular Properties

Compound Namemethyl (E)-3-[5-methoxy-2-[(E)-methoxyiminomethyl]phenyl]prop-2-enoate
PubChem CID59052802
Molecular FormulaC13H15NO4
Molecular Weight249.27 g/mol
Exact Mass249.10
IUPAC Namemethyl (E)-3-[5-methoxy-2-[(E)-methoxyiminomethyl]phenyl]prop-2-enoate
SMILESCO/N=C/c1ccc(OC)cc1/C=C/C(=O)OC
InChIInChI=1S/C13H15NO4/c1-16-12-6-4-11(9-14-18-3)10(8-12)5-7-13(15)17-2/h4-9H,1-3H3/b7-5+,14-9+
InChIKeyRKZNIQYFZNSHES-WYMAPRSLSA-N
XLogP1.86
TPSA57.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze methyl (E)-3-[5-methoxy-2-[(E)-methoxyiminomethyl]phenyl]prop-2-enoate 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

4-Methoxybenzaldehyde Oxime
CID 5371961
p-Anisaldehyde, oxime, (Z)-
CID 5371924
3-Methoxy-benzaldehyde oxime
CID 9601243
4-Methoxybenzaldoxime
CID 94712
p-Anisaldehyde, O-methyloxime
CID 9603367
N-(4-Methoxybenzylidene)glycine methyl ester
CID 4193973
(NE)-N-[[2-(4-methoxyphenyl)phenyl]methylidene]hydroxylamine
CID 10331322
7-[(E)-methoxyiminomethyl]chromen-2-one
CID 44371231
(NE)-N-[[2-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]methylidene]hydroxylamine
CID 142575117
N-[(3-methoxyphenyl)methylidene]hydroxylamine
CID 293577
m-Methoxybenzaldoxime
CID 5373231
(E)-1-(4-methoxyphenyl)-N-prop-2-enoxymethanimine
CID 56683188

Frequently Asked Questions

What is the IUPAC name of methyl (E)-3-[5-methoxy-2-[(E)-methoxyiminomethyl]phenyl]prop-2-enoate?
The IUPAC name of methyl (E)-3-[5-methoxy-2-[(E)-methoxyiminomethyl]phenyl]prop-2-enoate (CID 59052802) is methyl (E)-3-[5-methoxy-2-[(E)-methoxyiminomethyl]phenyl]prop-2-enoate.
What is the SMILES notation for methyl (E)-3-[5-methoxy-2-[(E)-methoxyiminomethyl]phenyl]prop-2-enoate?
The canonical SMILES for methyl (E)-3-[5-methoxy-2-[(E)-methoxyiminomethyl]phenyl]prop-2-enoate is CO/N=C/c1ccc(OC)cc1/C=C/C(=O)OC.
What is the InChIKey of methyl (E)-3-[5-methoxy-2-[(E)-methoxyiminomethyl]phenyl]prop-2-enoate?
The InChIKey is RKZNIQYFZNSHES-WYMAPRSLSA-N. The full InChI is InChI=1S/C13H15NO4/c1-16-12-6-4-11(9-14-18-3)10(8-12)5-7-13(15)17-2/h4-9H,1-3H3/b7-5+,14-9+.
What are the key properties of methyl (E)-3-[5-methoxy-2-[(E)-methoxyiminomethyl]phenyl]prop-2-enoate?
methyl (E)-3-[5-methoxy-2-[(E)-methoxyiminomethyl]phenyl]prop-2-enoate has a molecular weight of 249.27 g/mol, XLogP of 1.86, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-3-[5-methoxy-2-[(E)-methoxyiminomethyl]phenyl]prop-2-enoate is sourced from PubChem (CID 59052802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).