(3E)-3-[(2,3-dimethoxyphenyl)methylidene]-6-ethoxy-1H-indol-2-one

C19H19NO4 — CID 11674249

IUPAC(3E)-3-[(2,3-dimethoxyphenyl)methylidene]-6-ethoxy-1H-indol-2-one
SMILESCCOc1ccc2c(c1)NC(=O)/C2=C/c1cccc(OC)c1OC
InChIInChI=1S/C19H19NO4/c1-4-24-13-8-9-14-15(19(21)20-16(14)11-13)10-12-6-5-7-17(22-2)18(12)23-3/h5-11H,4H2,1-3H3,(H,20,21)/b15-10+
InChIKeyUTVNUNZIDIDJSG-XNTDXEJSSA-N
MW325.36 g/mol
LogP3.60
Rot. Bonds5

About (3E)-3-[(2,3-dimethoxyphenyl)methylidene]-6-ethoxy-1H-indol-2-one

(3E)-3-[(2,3-dimethoxyphenyl)methylidene]-6-ethoxy-1H-indol-2-one (PubChem CID 11674249) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is (3E)-3-[(2,3-dimethoxyphenyl)methylidene]-6-ethoxy-1H-indol-2-one.

Molecular Properties

Compound Name(3E)-3-[(2,3-dimethoxyphenyl)methylidene]-6-ethoxy-1H-indol-2-one
PubChem CID11674249
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Name(3E)-3-[(2,3-dimethoxyphenyl)methylidene]-6-ethoxy-1H-indol-2-one
SMILESCCOc1ccc2c(c1)NC(=O)/C2=C/c1cccc(OC)c1OC
InChIInChI=1S/C19H19NO4/c1-4-24-13-8-9-14-15(19(21)20-16(14)11-13)10-12-6-5-7-17(22-2)18(12)23-3/h5-11H,4H2,1-3H3,(H,20,21)/b15-10+
InChIKeyUTVNUNZIDIDJSG-XNTDXEJSSA-N
XLogP3.60
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (3E)-3-[(2,3-dimethoxyphenyl)methylidene]-6-ethoxy-1H-indol-2-one 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

(3E)-6-ethoxy-3-[(5-fluoro-2-methoxyphenyl)methylidene]-1H-indol-2-one
CID 11529719
(3E)-3-[(2-chlorophenyl)methylidene]-6-ethoxy-1H-indol-2-one
CID 11514939
(3E)-6-ethoxy-3-[(2-propylphenyl)methylidene]-1H-indol-2-one
CID 58662775
3-[(2-ethoxyphenyl)methylidene]-6-prop-2-enoxy-1H-indol-2-one
CID 72985927
(3E)-3-(1,3-benzodioxol-4-ylmethylidene)-6-ethoxy-1H-indol-2-one
CID 11587619
3-(1,3-benzodioxol-4-ylmethylidene)-6-ethoxy-1H-indol-2-one
CID 73021011
(3E)-3-[(2,2-difluoro-1,3-benzodioxol-4-yl)methylidene]-6-ethoxy-1H-indol-2-one
CID 11602645
(3Z)-3-[(3-ethoxy-2-hydroxyphenyl)methylidene]-5,6-dimethoxy-1H-indol-2-one
CID 51063603
(3E)-3-[(2-ethoxyphenyl)methylidene]-6-phenyl-1H-indol-2-one
CID 11602565
(3Z)-3-[(3-methoxy-2-phenylmethoxyphenyl)methylidene]-1H-indol-2-one
CID 1224641
6-chloro-3-[(2-ethoxyphenyl)methylidene]-1H-indol-2-one
CID 4058783
3-[(4-ethoxyphenyl)methylidene]-5,6-dimethoxy-1H-indol-2-one
CID 936230

Frequently Asked Questions

What is the IUPAC name of (3E)-3-[(2,3-dimethoxyphenyl)methylidene]-6-ethoxy-1H-indol-2-one?
The IUPAC name of (3E)-3-[(2,3-dimethoxyphenyl)methylidene]-6-ethoxy-1H-indol-2-one (CID 11674249) is (3E)-3-[(2,3-dimethoxyphenyl)methylidene]-6-ethoxy-1H-indol-2-one.
What is the SMILES notation for (3E)-3-[(2,3-dimethoxyphenyl)methylidene]-6-ethoxy-1H-indol-2-one?
The canonical SMILES for (3E)-3-[(2,3-dimethoxyphenyl)methylidene]-6-ethoxy-1H-indol-2-one is CCOc1ccc2c(c1)NC(=O)/C2=C/c1cccc(OC)c1OC.
What is the InChIKey of (3E)-3-[(2,3-dimethoxyphenyl)methylidene]-6-ethoxy-1H-indol-2-one?
The InChIKey is UTVNUNZIDIDJSG-XNTDXEJSSA-N. The full InChI is InChI=1S/C19H19NO4/c1-4-24-13-8-9-14-15(19(21)20-16(14)11-13)10-12-6-5-7-17(22-2)18(12)23-3/h5-11H,4H2,1-3H3,(H,20,21)/b15-10+.
What are the key properties of (3E)-3-[(2,3-dimethoxyphenyl)methylidene]-6-ethoxy-1H-indol-2-one?
(3E)-3-[(2,3-dimethoxyphenyl)methylidene]-6-ethoxy-1H-indol-2-one has a molecular weight of 325.36 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[(2,3-dimethoxyphenyl)methylidene]-6-ethoxy-1H-indol-2-one is sourced from PubChem (CID 11674249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).