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

C18H15NO4 — CID 90209517

IUPACmethyl (3Z)-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-NXVVXOECSA-N
MW309.32 g/mol
LogP2.94
Rot. Bonds3

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

methyl (3Z)-3-[methoxy(phenyl)methylidene]-2-oxo-1H-indole-6-carboxylate (PubChem CID 90209517) has the molecular formula C18H15NO4 and a molecular weight of 309.32 g/mol. Its IUPAC name is methyl (3Z)-3-[methoxy(phenyl)methylidene]-2-oxo-1H-indole-6-carboxylate.

Molecular Properties

Compound Namemethyl (3Z)-3-[methoxy(phenyl)methylidene]-2-oxo-1H-indole-6-carboxylate
PubChem CID90209517
Molecular FormulaC18H15NO4
Molecular Weight309.32 g/mol
Exact Mass309.10
IUPAC Namemethyl (3Z)-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-NXVVXOECSA-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

acetyl 3-[methoxy(phenyl)methylidene]-2-oxo-1H-indole-6-carboxylate
CID 126506600
methyl (3Z)-3-[(4-fluorophenyl)-methoxymethylidene]-2-oxo-1H-indole-6-carboxylate
CID 90209622
methyl (1E)-3-(2-aminoacetyl)-1-[methoxy(phenyl)methylidene]-2-oxo-3H-indene-5-carboxylate
CID 163918965
3-(1-methoxyethylidene)-2-oxo-1H-indole-6-carboxamide
CID 68531241
methyl 6,11,11-trioxo-5H-benzo[b][1,4]benzothiazepine-9-carboxylate
CID 13013925
methyl 2-oxo-3-[[2-(trifluoromethyl)phenyl]methylidene]-1H-indole-6-carboxylate
CID 73018720
(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
5-(2-fluoro-6-methoxyphenyl)-3-[methoxy(phenyl)methylidene]-1H-indol-2-one
CID 146462155
methyl 6,11-dioxo-5H-benzo[b][1,4]benzothiazepine-9-carboxylate
CID 23464484
methyl 6-oxo-5H-benzo[b][1,4]benzothiazepine-9-carboxylate
CID 13013924
methyl (3E)-3-[(2,6-dimethoxyphenyl)methylidene]-2-oxo-1H-indole-6-carboxylate
CID 58662761
methyl 3-methylidene-2-oxo-1H-indole-5-carboxylate
CID 59474018

Frequently Asked Questions

What is the IUPAC name of methyl (3Z)-3-[methoxy(phenyl)methylidene]-2-oxo-1H-indole-6-carboxylate?
The IUPAC name of methyl (3Z)-3-[methoxy(phenyl)methylidene]-2-oxo-1H-indole-6-carboxylate (CID 90209517) is methyl (3Z)-3-[methoxy(phenyl)methylidene]-2-oxo-1H-indole-6-carboxylate.
What is the SMILES notation for methyl (3Z)-3-[methoxy(phenyl)methylidene]-2-oxo-1H-indole-6-carboxylate?
The canonical SMILES for methyl (3Z)-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 (3Z)-3-[methoxy(phenyl)methylidene]-2-oxo-1H-indole-6-carboxylate?
The InChIKey is WUVZENIISJMEHI-NXVVXOECSA-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 (3Z)-3-[methoxy(phenyl)methylidene]-2-oxo-1H-indole-6-carboxylate?
methyl (3Z)-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 (3Z)-3-[methoxy(phenyl)methylidene]-2-oxo-1H-indole-6-carboxylate is sourced from PubChem (CID 90209517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).