methyl (3E)-3-[(2-ethoxy-6-methoxyphenyl)methylidene]-2-oxo-1H-indole-6-carboxylate

C20H19NO5 — CID 11710094

IUPACmethyl (3E)-3-[(2-ethoxy-6-methoxyphenyl)methylidene]-2-oxo-1H-indole-6-carboxylate
SMILESCCOc1cccc(OC)c1/C=C1/C(=O)Nc2cc(C(=O)OC)ccc21
InChIInChI=1S/C20H19NO5/c1-4-26-18-7-5-6-17(24-2)15(18)11-14-13-9-8-12(20(23)25-3)10-16(13)21-19(14)22/h5-11H,4H2,1-3H3,(H,21,22)/b14-11+
InChIKeyVJBLLHMLQHNJAM-SDNWHVSQSA-N
MW353.37 g/mol
LogP3.37
Rot. Bonds5

About methyl (3E)-3-[(2-ethoxy-6-methoxyphenyl)methylidene]-2-oxo-1H-indole-6-carboxylate

methyl (3E)-3-[(2-ethoxy-6-methoxyphenyl)methylidene]-2-oxo-1H-indole-6-carboxylate (PubChem CID 11710094) has the molecular formula C20H19NO5 and a molecular weight of 353.37 g/mol. Its IUPAC name is methyl (3E)-3-[(2-ethoxy-6-methoxyphenyl)methylidene]-2-oxo-1H-indole-6-carboxylate.

Molecular Properties

Compound Namemethyl (3E)-3-[(2-ethoxy-6-methoxyphenyl)methylidene]-2-oxo-1H-indole-6-carboxylate
PubChem CID11710094
Molecular FormulaC20H19NO5
Molecular Weight353.37 g/mol
Exact Mass353.13
IUPAC Namemethyl (3E)-3-[(2-ethoxy-6-methoxyphenyl)methylidene]-2-oxo-1H-indole-6-carboxylate
SMILESCCOc1cccc(OC)c1/C=C1/C(=O)Nc2cc(C(=O)OC)ccc21
InChIInChI=1S/C20H19NO5/c1-4-26-18-7-5-6-17(24-2)15(18)11-14-13-9-8-12(20(23)25-3)10-16(13)21-19(14)22/h5-11H,4H2,1-3H3,(H,21,22)/b14-11+
InChIKeyVJBLLHMLQHNJAM-SDNWHVSQSA-N
XLogP3.37
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.37
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

methyl (3E)-3-[(2,6-dimethoxyphenyl)methylidene]-2-oxo-1H-indole-6-carboxylate
CID 58662761
2-[4-ethoxy-3-[(6-methoxycarbonyl-2-oxo-1H-indol-3-ylidene)methyl]phenoxy]acetic acid
CID 73002091
(3E)-3-[(2,3-dimethoxyphenyl)methylidene]-6-ethoxy-1H-indol-2-one
CID 11674249
methyl 2-oxo-3-[[2-(trifluoromethyl)phenyl]methylidene]-1H-indole-6-carboxylate
CID 73018720
methyl 3-(2,3-dihydro-1,4-benzodioxin-5-ylmethylidene)-2-oxo-1H-indole-6-carboxylate
CID 73009360
6-chloro-3-[(2-ethoxyphenyl)methylidene]-1H-indol-2-one
CID 4058783
(3E)-6-ethoxy-3-[(5-fluoro-2-methoxyphenyl)methylidene]-1H-indol-2-one
CID 11529719
N-[[3-[(2-ethoxyphenyl)methylidene]-2-oxo-1H-indol-6-yl]methyl]acetamide
CID 73064996
(3E)-3-[(2-ethoxyphenyl)methylidene]-6-phenyl-1H-indol-2-one
CID 11602565
(3E)-3-[(2-fluorophenyl)methylidene]-N-methyl-2-oxo-1H-indole-6-carboxamide;(3E)-3-[(2-fluorophenyl)methylidene]-2-oxo-1H-indole-6-carboxylic acid;methyl (3E)-3-[(2-fluorophenyl)methylidene]-2-oxo-1H-indole-6-carboxylate
CID 160503418
(3E)-3-[(4-ethoxy-3-methoxyphenyl)methylidene]-6-(trifluoromethyl)-1H-indol-2-one
CID 21373991
3-[(2-bromo-4-ethoxy-5-methoxyphenyl)methylidene]-1H-indol-2-one
CID 4569267

Frequently Asked Questions

What is the IUPAC name of methyl (3E)-3-[(2-ethoxy-6-methoxyphenyl)methylidene]-2-oxo-1H-indole-6-carboxylate?
The IUPAC name of methyl (3E)-3-[(2-ethoxy-6-methoxyphenyl)methylidene]-2-oxo-1H-indole-6-carboxylate (CID 11710094) is methyl (3E)-3-[(2-ethoxy-6-methoxyphenyl)methylidene]-2-oxo-1H-indole-6-carboxylate.
What is the SMILES notation for methyl (3E)-3-[(2-ethoxy-6-methoxyphenyl)methylidene]-2-oxo-1H-indole-6-carboxylate?
The canonical SMILES for methyl (3E)-3-[(2-ethoxy-6-methoxyphenyl)methylidene]-2-oxo-1H-indole-6-carboxylate is CCOc1cccc(OC)c1/C=C1/C(=O)Nc2cc(C(=O)OC)ccc21.
What is the InChIKey of methyl (3E)-3-[(2-ethoxy-6-methoxyphenyl)methylidene]-2-oxo-1H-indole-6-carboxylate?
The InChIKey is VJBLLHMLQHNJAM-SDNWHVSQSA-N. The full InChI is InChI=1S/C20H19NO5/c1-4-26-18-7-5-6-17(24-2)15(18)11-14-13-9-8-12(20(23)25-3)10-16(13)21-19(14)22/h5-11H,4H2,1-3H3,(H,21,22)/b14-11+.
What are the key properties of methyl (3E)-3-[(2-ethoxy-6-methoxyphenyl)methylidene]-2-oxo-1H-indole-6-carboxylate?
methyl (3E)-3-[(2-ethoxy-6-methoxyphenyl)methylidene]-2-oxo-1H-indole-6-carboxylate has a molecular weight of 353.37 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3E)-3-[(2-ethoxy-6-methoxyphenyl)methylidene]-2-oxo-1H-indole-6-carboxylate is sourced from PubChem (CID 11710094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).