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

C18H15NO4 — CID 42634134

IUPACmethyl (3E)-3-[methoxy(phenyl)methylidene]-2-oxo-1H-indole-6-carboxylate
SMILESCOC(=O)c1ccc2c(c1)NC(=O)/C2=C(/OC)c1ccccc1
InChIInChI=1S/C18H15NO4/c1-22-16(11-6-4-3-5-7-11)15-13-9-8-12(18(21)23-2)10-14(13)19-17(15)20/h3-10H,1-2H3,(H,19,20)/b16-15+
InChIKeyWUVZENIISJMEHI-FOCLMDBBSA-N
MW309.32 g/mol
LogP2.94
Rot. Bonds3

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

methyl (3E)-3-[methoxy(phenyl)methylidene]-2-oxo-1H-indole-6-carboxylate (PubChem CID 42634134) has the molecular formula C18H15NO4 and a molecular weight of 309.32 g/mol. Its IUPAC name is methyl (3E)-3-[methoxy(phenyl)methylidene]-2-oxo-1H-indole-6-carboxylate.

Molecular Properties

Compound Namemethyl (3E)-3-[methoxy(phenyl)methylidene]-2-oxo-1H-indole-6-carboxylate
PubChem CID42634134
Molecular FormulaC18H15NO4
Molecular Weight309.32 g/mol
Exact Mass309.10
IUPAC Namemethyl (3E)-3-[methoxy(phenyl)methylidene]-2-oxo-1H-indole-6-carboxylate
SMILESCOC(=O)c1ccc2c(c1)NC(=O)/C2=C(/OC)c1ccccc1
InChIInChI=1S/C18H15NO4/c1-22-16(11-6-4-3-5-7-11)15-13-9-8-12(18(21)23-2)10-14(13)19-17(15)20/h3-10H,1-2H3,(H,19,20)/b16-15+
InChIKeyWUVZENIISJMEHI-FOCLMDBBSA-N
XLogP2.94
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 52.94
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'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

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CID 730634
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Methyl 3-benzamidobenzoate
CID 730618
3,3-dimethyl-2-oxo-2,3-dihydro-1H-indole-6-carboxylic acid
CID 14624055
Dimethyl 2-acetamidoterephthalate
CID 228014
Ethyl 3-(3-phenylpropanoylamino)benzoate
CID 670777
(E)-4-[2,5-bis(methoxycarbonyl)anilino]-4-oxobut-2-enoic acid
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2-(4-Methylphenyl)-2-oxoethyl 2-hydroxy-4-quinolinecarboxylate
CID 955509
[1-(2,3-Dihydroindol-1-yl)-1-oxopropan-2-yl] 3-acetamidobenzoate
CID 16392702
methyl 4-[(E)-3-[3-benzoyl-4-[[2-(4-methylphenyl)acetyl]amino]anilino]-3-oxoprop-1-enyl]benzoate
CID 11421242
Methyl 2-{[3-(isobutyrylamino)benzoyl]amino}benzoate
CID 890938
Methyl 3-(3-phenylpropanoylamino)benzoate
CID 2072960

Frequently Asked Questions

What is the IUPAC name of methyl (3E)-3-[methoxy(phenyl)methylidene]-2-oxo-1H-indole-6-carboxylate?
The IUPAC name of methyl (3E)-3-[methoxy(phenyl)methylidene]-2-oxo-1H-indole-6-carboxylate (CID 42634134) is methyl (3E)-3-[methoxy(phenyl)methylidene]-2-oxo-1H-indole-6-carboxylate.
What is the SMILES notation for methyl (3E)-3-[methoxy(phenyl)methylidene]-2-oxo-1H-indole-6-carboxylate?
The canonical SMILES for methyl (3E)-3-[methoxy(phenyl)methylidene]-2-oxo-1H-indole-6-carboxylate is COC(=O)c1ccc2c(c1)NC(=O)/C2=C(/OC)c1ccccc1.
What is the InChIKey of methyl (3E)-3-[methoxy(phenyl)methylidene]-2-oxo-1H-indole-6-carboxylate?
The InChIKey is WUVZENIISJMEHI-FOCLMDBBSA-N. The full InChI is InChI=1S/C18H15NO4/c1-22-16(11-6-4-3-5-7-11)15-13-9-8-12(18(21)23-2)10-14(13)19-17(15)20/h3-10H,1-2H3,(H,19,20)/b16-15+.
What are the key properties of methyl (3E)-3-[methoxy(phenyl)methylidene]-2-oxo-1H-indole-6-carboxylate?
methyl (3E)-3-[methoxy(phenyl)methylidene]-2-oxo-1H-indole-6-carboxylate has a molecular weight of 309.32 g/mol, XLogP of 2.94, 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]-2-oxo-1H-indole-6-carboxylate is sourced from PubChem (CID 42634134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).