methyl 3-(2,3-dihydro-1,4-benzodioxin-5-ylmethylidene)-2-oxo-1H-indole-6-carboxylate

C19H15NO5 — CID 73009360

IUPACmethyl 3-(2,3-dihydro-1,4-benzodioxin-5-ylmethylidene)-2-oxo-1H-indole-6-carboxylate
SMILESCOC(=O)c1ccc2c(c1)NC(=O)C2=Cc1cccc2c1OCCO2
InChIInChI=1S/C19H15NO5/c1-23-19(22)12-5-6-13-14(18(21)20-15(13)10-12)9-11-3-2-4-16-17(11)25-8-7-24-16/h2-6,9-10H,7-8H2,1H3,(H,20,21)
InChIKeyFANVLKFHBJUYKO-UHFFFAOYSA-N
MW337.33 g/mol
LogP2.74
Rot. Bonds2

About methyl 3-(2,3-dihydro-1,4-benzodioxin-5-ylmethylidene)-2-oxo-1H-indole-6-carboxylate

methyl 3-(2,3-dihydro-1,4-benzodioxin-5-ylmethylidene)-2-oxo-1H-indole-6-carboxylate (PubChem CID 73009360) has the molecular formula C19H15NO5 and a molecular weight of 337.33 g/mol. Its IUPAC name is methyl 3-(2,3-dihydro-1,4-benzodioxin-5-ylmethylidene)-2-oxo-1H-indole-6-carboxylate.

Molecular Properties

Compound Namemethyl 3-(2,3-dihydro-1,4-benzodioxin-5-ylmethylidene)-2-oxo-1H-indole-6-carboxylate
PubChem CID73009360
Molecular FormulaC19H15NO5
Molecular Weight337.33 g/mol
Exact Mass337.10
IUPAC Namemethyl 3-(2,3-dihydro-1,4-benzodioxin-5-ylmethylidene)-2-oxo-1H-indole-6-carboxylate
SMILESCOC(=O)c1ccc2c(c1)NC(=O)C2=Cc1cccc2c1OCCO2
InChIInChI=1S/C19H15NO5/c1-23-19(22)12-5-6-13-14(18(21)20-15(13)10-12)9-11-3-2-4-16-17(11)25-8-7-24-16/h2-6,9-10H,7-8H2,1H3,(H,20,21)
InChIKeyFANVLKFHBJUYKO-UHFFFAOYSA-N
XLogP2.74
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.33
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-oxo-3-[[2-(trifluoromethyl)phenyl]methylidene]-1H-indole-6-carboxylate
CID 73018720
methyl (3E)-3-[(2,6-dimethoxyphenyl)methylidene]-2-oxo-1H-indole-6-carboxylate
CID 58662761
(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
(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
methyl (3E)-3-[(2-ethoxy-6-methoxyphenyl)methylidene]-2-oxo-1H-indole-6-carboxylate
CID 11710094
methyl 3-(2,3-dihydro-1,4-benzodioxine-5-carbonylamino)benzoate
CID 110699611
2-[4-ethoxy-3-[(6-methoxycarbonyl-2-oxo-1H-indol-3-ylidene)methyl]phenoxy]acetic acid
CID 73002091
methyl (3Z)-3-[methoxy(phenyl)methylidene]-2-oxo-1H-indole-6-carboxylate
CID 90209517
methyl 4-[5-methyl-2-[(2-oxo-1H-indol-3-ylidene)methyl]phenyl]benzoate
CID 54053046
methyl 3-(dimethylaminomethylidene)-2-oxo-1H-indole-5-carboxylate
CID 54389733
methyl 3-[4-methyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]furan-2-yl]benzoate
CID 66772507

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2,3-dihydro-1,4-benzodioxin-5-ylmethylidene)-2-oxo-1H-indole-6-carboxylate?
The IUPAC name of methyl 3-(2,3-dihydro-1,4-benzodioxin-5-ylmethylidene)-2-oxo-1H-indole-6-carboxylate (CID 73009360) is methyl 3-(2,3-dihydro-1,4-benzodioxin-5-ylmethylidene)-2-oxo-1H-indole-6-carboxylate.
What is the SMILES notation for methyl 3-(2,3-dihydro-1,4-benzodioxin-5-ylmethylidene)-2-oxo-1H-indole-6-carboxylate?
The canonical SMILES for methyl 3-(2,3-dihydro-1,4-benzodioxin-5-ylmethylidene)-2-oxo-1H-indole-6-carboxylate is COC(=O)c1ccc2c(c1)NC(=O)C2=Cc1cccc2c1OCCO2.
What is the InChIKey of methyl 3-(2,3-dihydro-1,4-benzodioxin-5-ylmethylidene)-2-oxo-1H-indole-6-carboxylate?
The InChIKey is FANVLKFHBJUYKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO5/c1-23-19(22)12-5-6-13-14(18(21)20-15(13)10-12)9-11-3-2-4-16-17(11)25-8-7-24-16/h2-6,9-10H,7-8H2,1H3,(H,20,21).
What are the key properties of methyl 3-(2,3-dihydro-1,4-benzodioxin-5-ylmethylidene)-2-oxo-1H-indole-6-carboxylate?
methyl 3-(2,3-dihydro-1,4-benzodioxin-5-ylmethylidene)-2-oxo-1H-indole-6-carboxylate has a molecular weight of 337.33 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2,3-dihydro-1,4-benzodioxin-5-ylmethylidene)-2-oxo-1H-indole-6-carboxylate is sourced from PubChem (CID 73009360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).