methyl 2'-oxospiro[1,2-dihydroindene-3,4'-cyclopentane]-1'-carboxylate

C15H16O3 — CID 167092641

IUPACmethyl 2'-oxospiro[1,2-dihydroindene-3,4'-cyclopentane]-1'-carboxylate
SMILESCOC(=O)C1CC2(CCc3ccccc32)CC1=O
InChIInChI=1S/C15H16O3/c1-18-14(17)11-8-15(9-13(11)16)7-6-10-4-2-3-5-12(10)15/h2-5,11H,6-9H2,1H3
InChIKeyFSBGYGGOFBOIKX-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.02
Rot. Bonds1

About methyl 2'-oxospiro[1,2-dihydroindene-3,4'-cyclopentane]-1'-carboxylate

methyl 2'-oxospiro[1,2-dihydroindene-3,4'-cyclopentane]-1'-carboxylate (PubChem CID 167092641) has the molecular formula C15H16O3 and a molecular weight of 244.29 g/mol. Its IUPAC name is methyl 2'-oxospiro[1,2-dihydroindene-3,4'-cyclopentane]-1'-carboxylate.

Molecular Properties

Compound Namemethyl 2'-oxospiro[1,2-dihydroindene-3,4'-cyclopentane]-1'-carboxylate
PubChem CID167092641
Molecular FormulaC15H16O3
Molecular Weight244.29 g/mol
Exact Mass244.11
IUPAC Namemethyl 2'-oxospiro[1,2-dihydroindene-3,4'-cyclopentane]-1'-carboxylate
SMILESCOC(=O)C1CC2(CCc3ccccc32)CC1=O
InChIInChI=1S/C15H16O3/c1-18-14(17)11-8-15(9-13(11)16)7-6-10-4-2-3-5-12(10)15/h2-5,11H,6-9H2,1H3
InChIKeyFSBGYGGOFBOIKX-UHFFFAOYSA-N
XLogP2.02
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.02
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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Related Compounds

methyl (3S)-2'-oxospiro[2,4-dihydro-1H-naphthalene-3,4'-cyclopentane]-1'-carboxylate
CID 155336796
methyl 5-(2-fluorophenyl)-5-methyl-2-oxocyclohexane-1-carboxylate
CID 59030648
methyl 5-methyl-2-oxo-5-phenylcyclohexane-1-carboxylate
CID 15701403
methyl 1-spiro[cyclopentane-3,9'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-1-ylazetidine-3-carboxylate
CID 59416843
spiro[1,2-dihydroindene-3,4'-cyclohexane]-1'-one
CID 22357444
cis-methyl (1S,5R)-5-cyano-2-oxo-5-phenylcyclohexane-1-carboxylate
CID 86312336
2'-(4-ethoxyiminobutyl)spiro[1,2-dihydroindene-3,5'-cyclohexane]-1',3'-dione
CID 88679352
methyl 1-hydroxy-2,3-dihydroindene-1-carboxylate
CID 62213056
methyl 5,5-difluoro-2-oxocyclohexane-1-carboxylate
CID 156900267
dimethyl (1R,3R)-3-amino-1,2-dihydroindene-1,3-dicarboxylate
CID 11086141
ethyl 1'-methyl-4'-oxospiro[1,2-dihydroindene-3,6'-piperidine]-3'-carboxylate
CID 170366692
methyl (7S)-bicyclo[4.2.0]octa-1,3,5-triene-7-carboxylate
CID 124511173

Frequently Asked Questions

What is the IUPAC name of methyl 2'-oxospiro[1,2-dihydroindene-3,4'-cyclopentane]-1'-carboxylate?
The IUPAC name of methyl 2'-oxospiro[1,2-dihydroindene-3,4'-cyclopentane]-1'-carboxylate (CID 167092641) is methyl 2'-oxospiro[1,2-dihydroindene-3,4'-cyclopentane]-1'-carboxylate.
What is the SMILES notation for methyl 2'-oxospiro[1,2-dihydroindene-3,4'-cyclopentane]-1'-carboxylate?
The canonical SMILES for methyl 2'-oxospiro[1,2-dihydroindene-3,4'-cyclopentane]-1'-carboxylate is COC(=O)C1CC2(CCc3ccccc32)CC1=O.
What is the InChIKey of methyl 2'-oxospiro[1,2-dihydroindene-3,4'-cyclopentane]-1'-carboxylate?
The InChIKey is FSBGYGGOFBOIKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O3/c1-18-14(17)11-8-15(9-13(11)16)7-6-10-4-2-3-5-12(10)15/h2-5,11H,6-9H2,1H3.
What are the key properties of methyl 2'-oxospiro[1,2-dihydroindene-3,4'-cyclopentane]-1'-carboxylate?
methyl 2'-oxospiro[1,2-dihydroindene-3,4'-cyclopentane]-1'-carboxylate has a molecular weight of 244.29 g/mol, XLogP of 2.02, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2'-oxospiro[1,2-dihydroindene-3,4'-cyclopentane]-1'-carboxylate is sourced from PubChem (CID 167092641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).