(3'aR,9'bS)-spiro[1,3-dioxolane-2,3'-2,3a,4,9b-tetrahydro-1H-cyclopenta[a]naphthalene]-5'-one

C15H16O3 — CID 14909433

IUPAC(3'aR,9'bS)-spiro[1,3-dioxolane-2,3'-2,3a,4,9b-tetrahydro-1H-cyclopenta[a]naphthalene]-5'-one
SMILESO=C1C[C@@H]2[C@H](CCC23OCCO3)c2ccccc21
InChIInChI=1S/C15H16O3/c16-14-9-13-11(10-3-1-2-4-12(10)14)5-6-15(13)17-7-8-18-15/h1-4,11,13H,5-9H2/t11-,13-/m1/s1
InChIKeyKGGSWQNBONQSLV-DGCLKSJQSA-N
MW244.29 g/mol
LogP2.51
Rot. Bonds

About (3'aR,9'bS)-spiro[1,3-dioxolane-2,3'-2,3a,4,9b-tetrahydro-1H-cyclopenta[a]naphthalene]-5'-one

(3'aR,9'bS)-spiro[1,3-dioxolane-2,3'-2,3a,4,9b-tetrahydro-1H-cyclopenta[a]naphthalene]-5'-one (PubChem CID 14909433) has the molecular formula C15H16O3 and a molecular weight of 244.29 g/mol. Its IUPAC name is (3'aR,9'bS)-spiro[1,3-dioxolane-2,3'-2,3a,4,9b-tetrahydro-1H-cyclopenta[a]naphthalene]-5'-one.

Molecular Properties

Compound Name(3'aR,9'bS)-spiro[1,3-dioxolane-2,3'-2,3a,4,9b-tetrahydro-1H-cyclopenta[a]naphthalene]-5'-one
PubChem CID14909433
Molecular FormulaC15H16O3
Molecular Weight244.29 g/mol
Exact Mass244.11
IUPAC Name(3'aR,9'bS)-spiro[1,3-dioxolane-2,3'-2,3a,4,9b-tetrahydro-1H-cyclopenta[a]naphthalene]-5'-one
SMILESO=C1C[C@@H]2[C@H](CCC23OCCO3)c2ccccc21
InChIInChI=1S/C15H16O3/c16-14-9-13-11(10-3-1-2-4-12(10)14)5-6-15(13)17-7-8-18-15/h1-4,11,13H,5-9H2/t11-,13-/m1/s1
InChIKeyKGGSWQNBONQSLV-DGCLKSJQSA-N
XLogP2.51
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 11265495
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CID 10444015
1,1a,2,7b-tetrahydrocyclopropa[c]isoquinolin-3-one
CID 82274917
3-bromo-2,3-dihydroinden-1-one
CID 11745912
methyl (3'aS,7'aS)-6'-oxospiro[1,3-dioxolane-2,1'-3,3a,7,7a-tetrahydro-2H-indene]-4'-carboxylate
CID 10879575
(3'aR,6'aR)-spiro[1,3-dioxolane-2,4'-3a,5,6,6a-tetrahydropentalene]-1'-one
CID 11389748
(3R)-3-tert-butyl-2,3-dihydroinden-1-one
CID 158775656
7'-methylspiro[1,3-dioxolane-2,1'-2,3,3a,5,6,7,8,8a-octahydroazulene]-4'-one
CID 559651
(2'aS,8'bR)-spiro[1,3-dioxane-2,3'-2,2a,4,8b-tetrahydro-1H-cyclobuta[a]naphthalene]
CID 11253224
3-oxo-1,2-dihydroindene-1-sulfinic acid
CID 175208861
3-(2-oxo-1,3-dihydroinden-1-yl)-2,3-dihydroinden-1-one
CID 20693098
13-hydroxy-12-oxa-9-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6-trien-8-one
CID 15485992

Frequently Asked Questions

What is the IUPAC name of (3'aR,9'bS)-spiro[1,3-dioxolane-2,3'-2,3a,4,9b-tetrahydro-1H-cyclopenta[a]naphthalene]-5'-one?
The IUPAC name of (3'aR,9'bS)-spiro[1,3-dioxolane-2,3'-2,3a,4,9b-tetrahydro-1H-cyclopenta[a]naphthalene]-5'-one (CID 14909433) is (3'aR,9'bS)-spiro[1,3-dioxolane-2,3'-2,3a,4,9b-tetrahydro-1H-cyclopenta[a]naphthalene]-5'-one.
What is the SMILES notation for (3'aR,9'bS)-spiro[1,3-dioxolane-2,3'-2,3a,4,9b-tetrahydro-1H-cyclopenta[a]naphthalene]-5'-one?
The canonical SMILES for (3'aR,9'bS)-spiro[1,3-dioxolane-2,3'-2,3a,4,9b-tetrahydro-1H-cyclopenta[a]naphthalene]-5'-one is O=C1C[C@@H]2[C@H](CCC23OCCO3)c2ccccc21.
What is the InChIKey of (3'aR,9'bS)-spiro[1,3-dioxolane-2,3'-2,3a,4,9b-tetrahydro-1H-cyclopenta[a]naphthalene]-5'-one?
The InChIKey is KGGSWQNBONQSLV-DGCLKSJQSA-N. The full InChI is InChI=1S/C15H16O3/c16-14-9-13-11(10-3-1-2-4-12(10)14)5-6-15(13)17-7-8-18-15/h1-4,11,13H,5-9H2/t11-,13-/m1/s1.
What are the key properties of (3'aR,9'bS)-spiro[1,3-dioxolane-2,3'-2,3a,4,9b-tetrahydro-1H-cyclopenta[a]naphthalene]-5'-one?
(3'aR,9'bS)-spiro[1,3-dioxolane-2,3'-2,3a,4,9b-tetrahydro-1H-cyclopenta[a]naphthalene]-5'-one has a molecular weight of 244.29 g/mol, XLogP of 2.51, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3'aR,9'bS)-spiro[1,3-dioxolane-2,3'-2,3a,4,9b-tetrahydro-1H-cyclopenta[a]naphthalene]-5'-one is sourced from PubChem (CID 14909433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).