dimethyl 2-acetyl-1,3-dihydroindene-2,5-dicarboxylate

C15H16O5 — CID 10468672

IUPACdimethyl 2-acetyl-1,3-dihydroindene-2,5-dicarboxylate
SMILESCOC(=O)c1ccc2c(c1)CC(C(C)=O)(C(=O)OC)C2
InChIInChI=1S/C15H16O5/c1-9(16)15(14(18)20-3)7-11-5-4-10(13(17)19-2)6-12(11)8-15/h4-6H,7-8H2,1-3H3
InChIKeyGRABVXAYSZLNTN-UHFFFAOYSA-N
MW276.29 g/mol
LogP1.32
Rot. Bonds3

About dimethyl 2-acetyl-1,3-dihydroindene-2,5-dicarboxylate

dimethyl 2-acetyl-1,3-dihydroindene-2,5-dicarboxylate (PubChem CID 10468672) has the molecular formula C15H16O5 and a molecular weight of 276.29 g/mol. Its IUPAC name is dimethyl 2-acetyl-1,3-dihydroindene-2,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2-acetyl-1,3-dihydroindene-2,5-dicarboxylate
PubChem CID10468672
Molecular FormulaC15H16O5
Molecular Weight276.29 g/mol
Exact Mass276.10
IUPAC Namedimethyl 2-acetyl-1,3-dihydroindene-2,5-dicarboxylate
SMILESCOC(=O)c1ccc2c(c1)CC(C(C)=O)(C(=O)OC)C2
InChIInChI=1S/C15H16O5/c1-9(16)15(14(18)20-3)7-11-5-4-10(13(17)19-2)6-12(11)8-15/h4-6H,7-8H2,1-3H3
InChIKeyGRABVXAYSZLNTN-UHFFFAOYSA-N
XLogP1.32
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze dimethyl 2-acetyl-1,3-dihydroindene-2,5-dicarboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl (2S)-2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-5-carboxylate
CID 138742539
tetramethyl 1,3-dihydroindene-2,2,4,6-tetracarboxylate
CID 11727810
dimethyl 2-(cyanomethyl)-3,4-dihydro-1H-naphthalene-2,7-dicarboxylate
CID 122619562
methyl (7S)-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxylate
CID 122619725
methyl 6-isocyano-6-(2-methoxy-2-oxoethyl)-7,8-dihydro-5H-naphthalene-2-carboxylate
CID 140747798
methyl (2R)-2-amino-2,3-dihydro-1H-indene-5-carboxylate
CID 98007137
methyl (2R)-2-hydroxy-5-methyl-1,3-dihydroindene-2-carboxylate
CID 125481919
dimethyl 5-(3-hydroxypropyl)-1,3-dihydroindene-2,2-dicarboxylate
CID 102101101
methyl 2,2-dimethyl-3H-1-benzofuran-5-carboxylate
CID 15284749
methyl 1'-formylspiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxylate
CID 122619687
methyl (3R)-3-hydroxy-2,2-dimethyl-1,3-dihydroindene-5-carboxylate
CID 155905394
methyl 1,2,3,4-tetrahydroisoquinoline-7-carboxylate
CID 10656920

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-acetyl-1,3-dihydroindene-2,5-dicarboxylate?
The IUPAC name of dimethyl 2-acetyl-1,3-dihydroindene-2,5-dicarboxylate (CID 10468672) is dimethyl 2-acetyl-1,3-dihydroindene-2,5-dicarboxylate.
What is the SMILES notation for dimethyl 2-acetyl-1,3-dihydroindene-2,5-dicarboxylate?
The canonical SMILES for dimethyl 2-acetyl-1,3-dihydroindene-2,5-dicarboxylate is COC(=O)c1ccc2c(c1)CC(C(C)=O)(C(=O)OC)C2.
What is the InChIKey of dimethyl 2-acetyl-1,3-dihydroindene-2,5-dicarboxylate?
The InChIKey is GRABVXAYSZLNTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O5/c1-9(16)15(14(18)20-3)7-11-5-4-10(13(17)19-2)6-12(11)8-15/h4-6H,7-8H2,1-3H3.
What are the key properties of dimethyl 2-acetyl-1,3-dihydroindene-2,5-dicarboxylate?
dimethyl 2-acetyl-1,3-dihydroindene-2,5-dicarboxylate has a molecular weight of 276.29 g/mol, XLogP of 1.32, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-acetyl-1,3-dihydroindene-2,5-dicarboxylate is sourced from PubChem (CID 10468672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).