methyl 2-(2,4-dioxo-3,8b-dihydroindeno[1,2-b]furan-3a-yl)acetate

C14H12O5 — CID 155678104

IUPACmethyl 2-(2,4-dioxo-3,8b-dihydroindeno[1,2-b]furan-3a-yl)acetate
SMILESCOC(=O)CC12CC(=O)OC1c1ccccc1C2=O
InChIInChI=1S/C14H12O5/c1-18-10(15)6-14-7-11(16)19-13(14)9-5-3-2-4-8(9)12(14)17/h2-5,13H,6-7H2,1H3
InChIKeyLVFUZLDLCTUCFQ-UHFFFAOYSA-N
MW260.25 g/mol
LogP1.42
Rot. Bonds2

About methyl 2-(2,4-dioxo-3,8b-dihydroindeno[1,2-b]furan-3a-yl)acetate

methyl 2-(2,4-dioxo-3,8b-dihydroindeno[1,2-b]furan-3a-yl)acetate (PubChem CID 155678104) has the molecular formula C14H12O5 and a molecular weight of 260.25 g/mol. Its IUPAC name is methyl 2-(2,4-dioxo-3,8b-dihydroindeno[1,2-b]furan-3a-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(2,4-dioxo-3,8b-dihydroindeno[1,2-b]furan-3a-yl)acetate
PubChem CID155678104
Molecular FormulaC14H12O5
Molecular Weight260.25 g/mol
Exact Mass260.07
IUPAC Namemethyl 2-(2,4-dioxo-3,8b-dihydroindeno[1,2-b]furan-3a-yl)acetate
SMILESCOC(=O)CC12CC(=O)OC1c1ccccc1C2=O
InChIInChI=1S/C14H12O5/c1-18-10(15)6-14-7-11(16)19-13(14)9-5-3-2-4-8(9)12(14)17/h2-5,13H,6-7H2,1H3
InChIKeyLVFUZLDLCTUCFQ-UHFFFAOYSA-N
XLogP1.42
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,4-dioxo-3,8b-dihydroindeno[1,2-b]furan-3a-yl)acetate?
The IUPAC name of methyl 2-(2,4-dioxo-3,8b-dihydroindeno[1,2-b]furan-3a-yl)acetate (CID 155678104) is methyl 2-(2,4-dioxo-3,8b-dihydroindeno[1,2-b]furan-3a-yl)acetate.
What is the SMILES notation for methyl 2-(2,4-dioxo-3,8b-dihydroindeno[1,2-b]furan-3a-yl)acetate?
The canonical SMILES for methyl 2-(2,4-dioxo-3,8b-dihydroindeno[1,2-b]furan-3a-yl)acetate is COC(=O)CC12CC(=O)OC1c1ccccc1C2=O.
What is the InChIKey of methyl 2-(2,4-dioxo-3,8b-dihydroindeno[1,2-b]furan-3a-yl)acetate?
The InChIKey is LVFUZLDLCTUCFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O5/c1-18-10(15)6-14-7-11(16)19-13(14)9-5-3-2-4-8(9)12(14)17/h2-5,13H,6-7H2,1H3.
What are the key properties of methyl 2-(2,4-dioxo-3,8b-dihydroindeno[1,2-b]furan-3a-yl)acetate?
methyl 2-(2,4-dioxo-3,8b-dihydroindeno[1,2-b]furan-3a-yl)acetate has a molecular weight of 260.25 g/mol, XLogP of 1.42, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,4-dioxo-3,8b-dihydroindeno[1,2-b]furan-3a-yl)acetate is sourced from PubChem (CID 155678104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).