methyl 3-methylidene-2-oxo-1H-indole-5-carboxylate

C11H9NO3 — CID 59474018

IUPACmethyl 3-methylidene-2-oxo-1H-indole-5-carboxylate
SMILESC=C1C(=O)Nc2ccc(C(=O)OC)cc21
InChIInChI=1S/C11H9NO3/c1-6-8-5-7(11(14)15-2)3-4-9(8)12-10(6)13/h3-5H,1H2,2H3,(H,12,13)
InChIKeyJSPLHVOFEMKFNY-UHFFFAOYSA-N
MW203.20 g/mol
LogP1.44
Rot. Bonds1

About methyl 3-methylidene-2-oxo-1H-indole-5-carboxylate

methyl 3-methylidene-2-oxo-1H-indole-5-carboxylate (PubChem CID 59474018) has the molecular formula C11H9NO3 and a molecular weight of 203.20 g/mol. Its IUPAC name is methyl 3-methylidene-2-oxo-1H-indole-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-methylidene-2-oxo-1H-indole-5-carboxylate
PubChem CID59474018
Molecular FormulaC11H9NO3
Molecular Weight203.20 g/mol
Exact Mass203.06
IUPAC Namemethyl 3-methylidene-2-oxo-1H-indole-5-carboxylate
SMILESC=C1C(=O)Nc2ccc(C(=O)OC)cc21
InChIInChI=1S/C11H9NO3/c1-6-8-5-7(11(14)15-2)3-4-9(8)12-10(6)13/h3-5H,1H2,2H3,(H,12,13)
InChIKeyJSPLHVOFEMKFNY-UHFFFAOYSA-N
XLogP1.44
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-(dimethylaminomethylidene)-2-oxo-1H-indole-5-carboxylate
CID 54389733
3-[chloro-(4-methoxycarbonylphenyl)methylidene]-2-oxo-1H-indole-5-carboxylic acid
CID 135317725
methyl 3-chloro-4-(2,3-dioxo-1H-indol-5-yl)benzoate
CID 136589803
methyl 6,11,11-trioxo-5H-benzo[b][1,4]benzothiazepine-9-carboxylate
CID 13013925
methyl (3Z)-3-[(4-fluorophenyl)-methoxymethylidene]-2-oxo-1H-indole-6-carboxylate
CID 90209622
methyl 6-oxo-5H-benzo[b][1,4]benzothiazepine-9-carboxylate
CID 13013924
methyl 6,11-dioxo-5H-benzo[b][1,4]benzothiazepine-9-carboxylate
CID 23464484
methyl (3Z)-3-[methoxy(phenyl)methylidene]-2-oxo-1H-indole-6-carboxylate
CID 90209517
methyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate
CID 9451992
methyl 1,1,3-trioxo-1,2-benzothiazole-6-carboxylate
CID 5062203
methyl 3,3-dimethyl-4-oxo-2,5-dihydro-1,5-benzothiazepine-8-carboxylate
CID 115098815
methyl 3-[(3-ethyl-4,5,6,7-tetrahydro-1-benzofuran-2-yl)methylidene]-2-oxo-1H-indole-5-carboxylate
CID 57159961

Frequently Asked Questions

What is the IUPAC name of methyl 3-methylidene-2-oxo-1H-indole-5-carboxylate?
The IUPAC name of methyl 3-methylidene-2-oxo-1H-indole-5-carboxylate (CID 59474018) is methyl 3-methylidene-2-oxo-1H-indole-5-carboxylate.
What is the SMILES notation for methyl 3-methylidene-2-oxo-1H-indole-5-carboxylate?
The canonical SMILES for methyl 3-methylidene-2-oxo-1H-indole-5-carboxylate is C=C1C(=O)Nc2ccc(C(=O)OC)cc21.
What is the InChIKey of methyl 3-methylidene-2-oxo-1H-indole-5-carboxylate?
The InChIKey is JSPLHVOFEMKFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO3/c1-6-8-5-7(11(14)15-2)3-4-9(8)12-10(6)13/h3-5H,1H2,2H3,(H,12,13).
What are the key properties of methyl 3-methylidene-2-oxo-1H-indole-5-carboxylate?
methyl 3-methylidene-2-oxo-1H-indole-5-carboxylate has a molecular weight of 203.20 g/mol, XLogP of 1.44, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methylidene-2-oxo-1H-indole-5-carboxylate is sourced from PubChem (CID 59474018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).