methyl (3E)-3-[methoxy(phenyl)methylidene]-7a-methyl-2-oxo-1,7-dihydroindole-6-carboxylate

C19H19NO4 — CID 153246672

IUPACmethyl (3E)-3-[methoxy(phenyl)methylidene]-7a-methyl-2-oxo-1,7-dihydroindole-6-carboxylate
SMILESCOC(=O)C1=CC=C2/C(=C(\OC)c3ccccc3)C(=O)NC2(C)C1
InChIInChI=1S/C19H19NO4/c1-19-11-13(18(22)24-3)9-10-14(19)15(17(21)20-19)16(23-2)12-7-5-4-6-8-12/h4-10H,11H2,1-3H3,(H,20,21)/b16-15+
InChIKeyWSMYEAFINWFZBL-FOCLMDBBSA-N
MW325.36 g/mol
LogP2.36
Rot. Bonds3

About methyl (3E)-3-[methoxy(phenyl)methylidene]-7a-methyl-2-oxo-1,7-dihydroindole-6-carboxylate

methyl (3E)-3-[methoxy(phenyl)methylidene]-7a-methyl-2-oxo-1,7-dihydroindole-6-carboxylate (PubChem CID 153246672) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is methyl (3E)-3-[methoxy(phenyl)methylidene]-7a-methyl-2-oxo-1,7-dihydroindole-6-carboxylate.

Molecular Properties

Compound Namemethyl (3E)-3-[methoxy(phenyl)methylidene]-7a-methyl-2-oxo-1,7-dihydroindole-6-carboxylate
PubChem CID153246672
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Namemethyl (3E)-3-[methoxy(phenyl)methylidene]-7a-methyl-2-oxo-1,7-dihydroindole-6-carboxylate
SMILESCOC(=O)C1=CC=C2/C(=C(\OC)c3ccccc3)C(=O)NC2(C)C1
InChIInChI=1S/C19H19NO4/c1-19-11-13(18(22)24-3)9-10-14(19)15(17(21)20-19)16(23-2)12-7-5-4-6-8-12/h4-10H,11H2,1-3H3,(H,20,21)/b16-15+
InChIKeyWSMYEAFINWFZBL-FOCLMDBBSA-N
XLogP2.36
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze methyl (3E)-3-[methoxy(phenyl)methylidene]-7a-methyl-2-oxo-1,7-dihydroindole-6-carboxylate 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

O-Benzoyl-N-acetyl-o-aminokresol
CID 129641750
tert-butyl 2-acetamido-5-methyl-2-phenyl-3H-furan-4-carboxylate
CID 134852126
methyl (2R)-5-oxo-2-[(E)-3-oxo-3-phenylmethoxyprop-1-enyl]pyrrolidine-2-carboxylate
CID 135013952
[2-(2-Ethoxycarbonylprop-2-enyl)-4-methylidene-5-oxopyrrolidin-2-yl]methyl benzoate
CID 138967029
(4-Acetamido-4-methylpentyl) benzoate
CID 154708605
methyl 2-acetamido-5-methyl-2-phenyl-3H-furan-4-carboxylate
CID 164683675
Benzyl 2-(1-acetamido-4-oxocyclohexa-2,5-dien-1-yl)acetate
CID 177853967
Benzyl 3-[5-oxo-2-(3-oxo-3-phenylmethoxypropyl)pyrrolidin-2-yl]propanoate
CID 13306704
(2,2,6,6-Tetramethyl-1,3-dihydropyridin-4-yl) benzoate
CID 22395603
methyl (3E)-3-[methoxy(phenyl)methylidene]-2-oxo-5,6-dihydro-1H-indole-6-carboxylate
CID 68198833
methyl 3-[methoxy(phenyl)methylidene]-2-oxo-3a,4-dihydro-1H-indole-6-carboxylate
CID 141236716
3-[methoxy(phenyl)methylidene]-3a,4-dihydro-1H-indol-2-one
CID 141326664

Frequently Asked Questions

What is the IUPAC name of methyl (3E)-3-[methoxy(phenyl)methylidene]-7a-methyl-2-oxo-1,7-dihydroindole-6-carboxylate?
The IUPAC name of methyl (3E)-3-[methoxy(phenyl)methylidene]-7a-methyl-2-oxo-1,7-dihydroindole-6-carboxylate (CID 153246672) is methyl (3E)-3-[methoxy(phenyl)methylidene]-7a-methyl-2-oxo-1,7-dihydroindole-6-carboxylate.
What is the SMILES notation for methyl (3E)-3-[methoxy(phenyl)methylidene]-7a-methyl-2-oxo-1,7-dihydroindole-6-carboxylate?
The canonical SMILES for methyl (3E)-3-[methoxy(phenyl)methylidene]-7a-methyl-2-oxo-1,7-dihydroindole-6-carboxylate is COC(=O)C1=CC=C2/C(=C(\OC)c3ccccc3)C(=O)NC2(C)C1.
What is the InChIKey of methyl (3E)-3-[methoxy(phenyl)methylidene]-7a-methyl-2-oxo-1,7-dihydroindole-6-carboxylate?
The InChIKey is WSMYEAFINWFZBL-FOCLMDBBSA-N. The full InChI is InChI=1S/C19H19NO4/c1-19-11-13(18(22)24-3)9-10-14(19)15(17(21)20-19)16(23-2)12-7-5-4-6-8-12/h4-10H,11H2,1-3H3,(H,20,21)/b16-15+.
What are the key properties of methyl (3E)-3-[methoxy(phenyl)methylidene]-7a-methyl-2-oxo-1,7-dihydroindole-6-carboxylate?
methyl (3E)-3-[methoxy(phenyl)methylidene]-7a-methyl-2-oxo-1,7-dihydroindole-6-carboxylate has a molecular weight of 325.36 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3E)-3-[methoxy(phenyl)methylidene]-7a-methyl-2-oxo-1,7-dihydroindole-6-carboxylate is sourced from PubChem (CID 153246672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).