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

C11H10O3 — CID 10888732

IUPACmethyl 2-oxo-1,3-dihydroindene-1-carboxylate
SMILESCOC(=O)C1C(=O)Cc2ccccc21
InChIInChI=1S/C11H10O3/c1-14-11(13)10-8-5-3-2-4-7(8)6-9(10)12/h2-5,10H,6H2,1H3
InChIKeyRWSYHHRDYRDVQL-UHFFFAOYSA-N
MW190.20 g/mol
LogP1.07
Rot. Bonds1

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

methyl 2-oxo-1,3-dihydroindene-1-carboxylate (PubChem CID 10888732) has the molecular formula C11H10O3 and a molecular weight of 190.20 g/mol. Its IUPAC name is methyl 2-oxo-1,3-dihydroindene-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-oxo-1,3-dihydroindene-1-carboxylate
PubChem CID10888732
Molecular FormulaC11H10O3
Molecular Weight190.20 g/mol
Exact Mass190.06
IUPAC Namemethyl 2-oxo-1,3-dihydroindene-1-carboxylate
SMILESCOC(=O)C1C(=O)Cc2ccccc21
InChIInChI=1S/C11H10O3/c1-14-11(13)10-8-5-3-2-4-7(8)6-9(10)12/h2-5,10H,6H2,1H3
InChIKeyRWSYHHRDYRDVQL-UHFFFAOYSA-N
XLogP1.07
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 ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-oxo-1,3-dihydroindene-1-carboxylate?
The IUPAC name of methyl 2-oxo-1,3-dihydroindene-1-carboxylate (CID 10888732) is methyl 2-oxo-1,3-dihydroindene-1-carboxylate.
What is the SMILES notation for methyl 2-oxo-1,3-dihydroindene-1-carboxylate?
The canonical SMILES for methyl 2-oxo-1,3-dihydroindene-1-carboxylate is COC(=O)C1C(=O)Cc2ccccc21.
What is the InChIKey of methyl 2-oxo-1,3-dihydroindene-1-carboxylate?
The InChIKey is RWSYHHRDYRDVQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O3/c1-14-11(13)10-8-5-3-2-4-7(8)6-9(10)12/h2-5,10H,6H2,1H3.
What are the key properties of methyl 2-oxo-1,3-dihydroindene-1-carboxylate?
methyl 2-oxo-1,3-dihydroindene-1-carboxylate has a molecular weight of 190.20 g/mol, XLogP of 1.07, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-oxo-1,3-dihydroindene-1-carboxylate is sourced from PubChem (CID 10888732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).