methyl 2-methyl-3-oxoindene-1-carboxylate

C12H10O3 — CID 608758

IUPACmethyl 2-methyl-3-oxoindene-1-carboxylate
SMILESCOC(=O)C1=C(C)C(=O)c2ccccc21
InChIInChI=1S/C12H10O3/c1-7-10(12(14)15-2)8-5-3-4-6-9(8)11(7)13/h3-6H,1-2H3
InChIKeyYLGBCZNBIILANX-UHFFFAOYSA-N
MW202.21 g/mol
LogP1.83
Rot. Bonds1

About methyl 2-methyl-3-oxoindene-1-carboxylate

methyl 2-methyl-3-oxoindene-1-carboxylate (PubChem CID 608758) has the molecular formula C12H10O3 and a molecular weight of 202.21 g/mol. Its IUPAC name is methyl 2-methyl-3-oxoindene-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-3-oxoindene-1-carboxylate
PubChem CID608758
Molecular FormulaC12H10O3
Molecular Weight202.21 g/mol
Exact Mass202.06
IUPAC Namemethyl 2-methyl-3-oxoindene-1-carboxylate
SMILESCOC(=O)C1=C(C)C(=O)c2ccccc21
InChIInChI=1S/C12H10O3/c1-7-10(12(14)15-2)8-5-3-4-6-9(8)11(7)13/h3-6H,1-2H3
InChIKeyYLGBCZNBIILANX-UHFFFAOYSA-N
XLogP1.83
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-3-oxoindene-1-carboxylate?
The IUPAC name of methyl 2-methyl-3-oxoindene-1-carboxylate (CID 608758) is methyl 2-methyl-3-oxoindene-1-carboxylate.
What is the SMILES notation for methyl 2-methyl-3-oxoindene-1-carboxylate?
The canonical SMILES for methyl 2-methyl-3-oxoindene-1-carboxylate is COC(=O)C1=C(C)C(=O)c2ccccc21.
What is the InChIKey of methyl 2-methyl-3-oxoindene-1-carboxylate?
The InChIKey is YLGBCZNBIILANX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O3/c1-7-10(12(14)15-2)8-5-3-4-6-9(8)11(7)13/h3-6H,1-2H3.
What are the key properties of methyl 2-methyl-3-oxoindene-1-carboxylate?
methyl 2-methyl-3-oxoindene-1-carboxylate has a molecular weight of 202.21 g/mol, XLogP of 1.83, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-3-oxoindene-1-carboxylate is sourced from PubChem (CID 608758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).