ethyl 8-methyl-2-oxo-5,6-dihydropyrano[2,3-e]isoindole-3-carboxylate

C15H15NO4 — CID 44582463

IUPACethyl 8-methyl-2-oxo-5,6-dihydropyrano[2,3-e]isoindole-3-carboxylate
SMILESCCOC(=O)c1cc2c(oc1=O)-c1cn(C)cc1CC2
InChIInChI=1S/C15H15NO4/c1-3-19-14(17)11-6-9-4-5-10-7-16(2)8-12(10)13(9)20-15(11)18/h6-8H,3-5H2,1-2H3
InChIKeyOVTKVEWEYXWSOR-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.92
Rot. Bonds2

About ethyl 8-methyl-2-oxo-5,6-dihydropyrano[2,3-e]isoindole-3-carboxylate

ethyl 8-methyl-2-oxo-5,6-dihydropyrano[2,3-e]isoindole-3-carboxylate (PubChem CID 44582463) has the molecular formula C15H15NO4 and a molecular weight of 273.29 g/mol. Its IUPAC name is ethyl 8-methyl-2-oxo-5,6-dihydropyrano[2,3-e]isoindole-3-carboxylate.

Molecular Properties

Compound Nameethyl 8-methyl-2-oxo-5,6-dihydropyrano[2,3-e]isoindole-3-carboxylate
PubChem CID44582463
Molecular FormulaC15H15NO4
Molecular Weight273.29 g/mol
Exact Mass273.10
IUPAC Nameethyl 8-methyl-2-oxo-5,6-dihydropyrano[2,3-e]isoindole-3-carboxylate
SMILESCCOC(=O)c1cc2c(oc1=O)-c1cn(C)cc1CC2
InChIInChI=1S/C15H15NO4/c1-3-19-14(17)11-6-9-4-5-10-7-16(2)8-12(10)13(9)20-15(11)18/h6-8H,3-5H2,1-2H3
InChIKeyOVTKVEWEYXWSOR-UHFFFAOYSA-N
XLogP1.92
TPSA61.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 8-benzyl-2-oxo-5,6-dihydropyrano[2,3-e]isoindole-3-carboxylate
CID 44582429
Ethyl 2-oxo-8-phenyl-5,6-dihydropyrano[2,3-e]isoindole-3-carboxylate
CID 44582430
Ethyl 8-benzyl-9-methyl-2-oxo-5,6-dihydropyrano[2,3-e]isoindole-3-carboxylate
CID 44582464
8-Methyl-2-oxo-5,6-dihydropyrano[2,3-e]isoindole-3-carboxylic acid
CID 44582521
8-Methyl-5,6-dihydropyrano[2,3-e]isoindol-2-one
CID 44582522
8-Benzyl-5,6-dihydropyrano[2,3-e]isoindol-2-one
CID 44582523

Frequently Asked Questions

What is the IUPAC name of ethyl 8-methyl-2-oxo-5,6-dihydropyrano[2,3-e]isoindole-3-carboxylate?
The IUPAC name of ethyl 8-methyl-2-oxo-5,6-dihydropyrano[2,3-e]isoindole-3-carboxylate (CID 44582463) is ethyl 8-methyl-2-oxo-5,6-dihydropyrano[2,3-e]isoindole-3-carboxylate.
What is the SMILES notation for ethyl 8-methyl-2-oxo-5,6-dihydropyrano[2,3-e]isoindole-3-carboxylate?
The canonical SMILES for ethyl 8-methyl-2-oxo-5,6-dihydropyrano[2,3-e]isoindole-3-carboxylate is CCOC(=O)c1cc2c(oc1=O)-c1cn(C)cc1CC2.
What is the InChIKey of ethyl 8-methyl-2-oxo-5,6-dihydropyrano[2,3-e]isoindole-3-carboxylate?
The InChIKey is OVTKVEWEYXWSOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4/c1-3-19-14(17)11-6-9-4-5-10-7-16(2)8-12(10)13(9)20-15(11)18/h6-8H,3-5H2,1-2H3.
What are the key properties of ethyl 8-methyl-2-oxo-5,6-dihydropyrano[2,3-e]isoindole-3-carboxylate?
ethyl 8-methyl-2-oxo-5,6-dihydropyrano[2,3-e]isoindole-3-carboxylate has a molecular weight of 273.29 g/mol, XLogP of 1.92, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-methyl-2-oxo-5,6-dihydropyrano[2,3-e]isoindole-3-carboxylate is sourced from PubChem (CID 44582463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).