methyl 4-methyl-1-oxo-2,3-dihydroindene-5-carboxylate

C12H12O3 — CID 20687962

IUPACmethyl 4-methyl-1-oxo-2,3-dihydroindene-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1C)CCC2=O
InChIInChI=1S/C12H12O3/c1-7-8-5-6-11(13)10(8)4-3-9(7)12(14)15-2/h3-4H,5-6H2,1-2H3
InChIKeyFSYVTPBTQVOOFR-UHFFFAOYSA-N
MW204.22 g/mol
LogP1.91
Rot. Bonds1

About methyl 4-methyl-1-oxo-2,3-dihydroindene-5-carboxylate

methyl 4-methyl-1-oxo-2,3-dihydroindene-5-carboxylate (PubChem CID 20687962) has the molecular formula C12H12O3 and a molecular weight of 204.22 g/mol. Its IUPAC name is methyl 4-methyl-1-oxo-2,3-dihydroindene-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-1-oxo-2,3-dihydroindene-5-carboxylate
PubChem CID20687962
Molecular FormulaC12H12O3
Molecular Weight204.22 g/mol
Exact Mass204.08
IUPAC Namemethyl 4-methyl-1-oxo-2,3-dihydroindene-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1C)CCC2=O
InChIInChI=1S/C12H12O3/c1-7-8-5-6-11(13)10(8)4-3-9(7)12(14)15-2/h3-4H,5-6H2,1-2H3
InChIKeyFSYVTPBTQVOOFR-UHFFFAOYSA-N
XLogP1.91
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-methoxy-8-methyl-4-oxo-2,3-dihydrothiochromene-7-carboxylate
CID 140987824
5-amino-4-methyl-2,3-dihydroinden-1-one;hydrochloride
CID 138106165
4-hydroxy-1-oxo-2,3-dihydroindene-5-carboxylic acid
CID 55297492
methyl 4-oxo-2,3-dihydrochromene-8-carboxylate
CID 122362508
methyl 3-hydroxy-2,4-dimethylbenzoate
CID 118991641
methyl N-methyl-N-(1-oxo-2,3-dihydroindene-4-carbonyl)carbamate
CID 54442774
methyl 1-oxo-5-[4-(trifluoromethoxy)phenoxy]-2,3-dihydroindene-4-carboxylate
CID 137406823
methyl 3-[(1-oxo-2,3-dihydroinden-4-yl)oxysulfonyl]benzoate
CID 31771332
tetramethyl naphthalene-1,4,5,8-tetracarboxylate
CID 520552
dimethyl 3,12-dioxo-2,13-dioxabicyclo[12.4.0]octadeca-1(18),14,16-triene-15,18-dicarboxylate
CID 139628561
N-methyl-1-oxo-2,3-dihydroindene-4-carboxamide
CID 130014945
methyl 3-cyano-4-(hydroxymethyl)-2-methylbenzoate
CID 131491506

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-1-oxo-2,3-dihydroindene-5-carboxylate?
The IUPAC name of methyl 4-methyl-1-oxo-2,3-dihydroindene-5-carboxylate (CID 20687962) is methyl 4-methyl-1-oxo-2,3-dihydroindene-5-carboxylate.
What is the SMILES notation for methyl 4-methyl-1-oxo-2,3-dihydroindene-5-carboxylate?
The canonical SMILES for methyl 4-methyl-1-oxo-2,3-dihydroindene-5-carboxylate is COC(=O)c1ccc2c(c1C)CCC2=O.
What is the InChIKey of methyl 4-methyl-1-oxo-2,3-dihydroindene-5-carboxylate?
The InChIKey is FSYVTPBTQVOOFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O3/c1-7-8-5-6-11(13)10(8)4-3-9(7)12(14)15-2/h3-4H,5-6H2,1-2H3.
What are the key properties of methyl 4-methyl-1-oxo-2,3-dihydroindene-5-carboxylate?
methyl 4-methyl-1-oxo-2,3-dihydroindene-5-carboxylate has a molecular weight of 204.22 g/mol, XLogP of 1.91, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-1-oxo-2,3-dihydroindene-5-carboxylate is sourced from PubChem (CID 20687962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).