methyl 1-oxo-2,3-dihydroindene-4-carboxylate

C11H10O3 — CID 10012730

IUPACmethyl 1-oxo-2,3-dihydroindene-4-carboxylate
SMILESCOC(=O)c1cccc2c1CCC2=O
InChIInChI=1S/C11H10O3/c1-14-11(13)9-4-2-3-8-7(9)5-6-10(8)12/h2-4H,5-6H2,1H3
InChIKeyPGGSYJMONFCBEJ-UHFFFAOYSA-N
MW190.20 g/mol
LogP1.60
Rot. Bonds1

About methyl 1-oxo-2,3-dihydroindene-4-carboxylate

methyl 1-oxo-2,3-dihydroindene-4-carboxylate (PubChem CID 10012730) has the molecular formula C11H10O3 and a molecular weight of 190.20 g/mol. Its IUPAC name is methyl 1-oxo-2,3-dihydroindene-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-oxo-2,3-dihydroindene-4-carboxylate
PubChem CID10012730
Molecular FormulaC11H10O3
Molecular Weight190.20 g/mol
Exact Mass190.06
IUPAC Namemethyl 1-oxo-2,3-dihydroindene-4-carboxylate
SMILESCOC(=O)c1cccc2c1CCC2=O
InChIInChI=1S/C11H10O3/c1-14-11(13)9-4-2-3-8-7(9)5-6-10(8)12/h2-4H,5-6H2,1H3
InChIKeyPGGSYJMONFCBEJ-UHFFFAOYSA-N
XLogP1.60
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 1-oxo-2,3-dihydroindene-4-carboxylate?
The IUPAC name of methyl 1-oxo-2,3-dihydroindene-4-carboxylate (CID 10012730) is methyl 1-oxo-2,3-dihydroindene-4-carboxylate.
What is the SMILES notation for methyl 1-oxo-2,3-dihydroindene-4-carboxylate?
The canonical SMILES for methyl 1-oxo-2,3-dihydroindene-4-carboxylate is COC(=O)c1cccc2c1CCC2=O.
What is the InChIKey of methyl 1-oxo-2,3-dihydroindene-4-carboxylate?
The InChIKey is PGGSYJMONFCBEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O3/c1-14-11(13)9-4-2-3-8-7(9)5-6-10(8)12/h2-4H,5-6H2,1H3.
What are the key properties of methyl 1-oxo-2,3-dihydroindene-4-carboxylate?
methyl 1-oxo-2,3-dihydroindene-4-carboxylate has a molecular weight of 190.20 g/mol, XLogP of 1.60, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-oxo-2,3-dihydroindene-4-carboxylate is sourced from PubChem (CID 10012730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).