spiro[1,2,4,5-tetrahydroindene-6,1'-cyclopropane]-1-yl acetate

C13H16O2 — CID 156687812

IUPACspiro[1,2,4,5-tetrahydroindene-6,1'-cyclopropane]-1-yl acetate
SMILESCC(=O)OC1CC=C2CCC3(C=C21)CC3
InChIInChI=1S/C13H16O2/c1-9(14)15-12-3-2-10-4-5-13(6-7-13)8-11(10)12/h2,8,12H,3-7H2,1H3
InChIKeyCYRFGVOIDIPEBX-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.75
Rot. Bonds1

About spiro[1,2,4,5-tetrahydroindene-6,1'-cyclopropane]-1-yl acetate

spiro[1,2,4,5-tetrahydroindene-6,1'-cyclopropane]-1-yl acetate (PubChem CID 156687812) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is spiro[1,2,4,5-tetrahydroindene-6,1'-cyclopropane]-1-yl acetate.

Molecular Properties

Compound Namespiro[1,2,4,5-tetrahydroindene-6,1'-cyclopropane]-1-yl acetate
PubChem CID156687812
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Namespiro[1,2,4,5-tetrahydroindene-6,1'-cyclopropane]-1-yl acetate
SMILESCC(=O)OC1CC=C2CCC3(C=C21)CC3
InChIInChI=1S/C13H16O2/c1-9(14)15-12-3-2-10-4-5-13(6-7-13)8-11(10)12/h2,8,12H,3-7H2,1H3
InChIKeyCYRFGVOIDIPEBX-UHFFFAOYSA-N
XLogP2.75
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze spiro[1,2,4,5-tetrahydroindene-6,1'-cyclopropane]-1-yl acetate 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

(2-pyridin-2-ylcyclohexa-2,4-dien-1-yl) acetate
CID 145095209
[(1S,5S)-2-iodo-5-methylcyclohex-2-en-1-yl] acetate
CID 53348616
[(1S,3S,4R,6S,7R,9S)-3,4,6,7,9-pentaacetyloxy-2,3,4,5,6,7,8,9-octahydro-1H-cyclopenta[e]-as-indacen-1-yl] acetate
CID 98504176
[(1R,4R,6E,10S)-3,7,11,11-tetramethyl-4-bicyclo[8.1.0]undeca-2,6-dienyl] acetate
CID 163185387
ethyl 2-[(1R,5S)-5-acetyloxy-4-methylcyclohex-3-en-1-yl]-2-methylcyclopropane-1-carboxylate
CID 167244113
[(5R,10R)-5-acetyloxy-5,6,7,8,9,10-hexahydrobenzo[8]annulen-10-yl] acetate
CID 102118384
[(1S,5S)-5-acetyloxy-1,2,3,4,5,6,7,8-octahydronaphthalen-1-yl] acetate
CID 10658458
[(1R)-2,3-dimethylcyclopent-2-en-1-yl] acetate
CID 162420340
[(1R,2S,4R,5S)-2-acetyloxy-4-hydroxy-1-bicyclo[3.1.0]hexanyl]methyl acetate
CID 11031609
(3-benzyl-2-oxocyclopent-3-en-1-yl) acetate
CID 25185939
[(1S,3S)-3-methyl-2,3-dihydro-1H-inden-1-yl] acetate
CID 11961495
(2-methyl-4-oxocyclohex-2-en-1-yl) acetate
CID 10986648

Frequently Asked Questions

What is the IUPAC name of spiro[1,2,4,5-tetrahydroindene-6,1'-cyclopropane]-1-yl acetate?
The IUPAC name of spiro[1,2,4,5-tetrahydroindene-6,1'-cyclopropane]-1-yl acetate (CID 156687812) is spiro[1,2,4,5-tetrahydroindene-6,1'-cyclopropane]-1-yl acetate.
What is the SMILES notation for spiro[1,2,4,5-tetrahydroindene-6,1'-cyclopropane]-1-yl acetate?
The canonical SMILES for spiro[1,2,4,5-tetrahydroindene-6,1'-cyclopropane]-1-yl acetate is CC(=O)OC1CC=C2CCC3(C=C21)CC3.
What is the InChIKey of spiro[1,2,4,5-tetrahydroindene-6,1'-cyclopropane]-1-yl acetate?
The InChIKey is CYRFGVOIDIPEBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2/c1-9(14)15-12-3-2-10-4-5-13(6-7-13)8-11(10)12/h2,8,12H,3-7H2,1H3.
What are the key properties of spiro[1,2,4,5-tetrahydroindene-6,1'-cyclopropane]-1-yl acetate?
spiro[1,2,4,5-tetrahydroindene-6,1'-cyclopropane]-1-yl acetate has a molecular weight of 204.27 g/mol, XLogP of 2.75, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[1,2,4,5-tetrahydroindene-6,1'-cyclopropane]-1-yl acetate is sourced from PubChem (CID 156687812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).