(3S)-spiro[1,2-dihydroindene-3,3'-oxolane]-2',5'-dione

C12H10O3 — CID 129374458

IUPAC(3S)-spiro[1,2-dihydroindene-3,3'-oxolane]-2',5'-dione
SMILESO=C1C[C@]2(CCc3ccccc32)C(=O)O1
InChIInChI=1S/C12H10O3/c13-10-7-12(11(14)15-10)6-5-8-3-1-2-4-9(8)12/h1-4H,5-7H2/t12-/m0/s1
InChIKeyJXJAHNQEJPFBPV-LBPRGKRZSA-N
MW202.21 g/mol
LogP1.34
Rot. Bonds

About (3S)-spiro[1,2-dihydroindene-3,3'-oxolane]-2',5'-dione

(3S)-spiro[1,2-dihydroindene-3,3'-oxolane]-2',5'-dione (PubChem CID 129374458) has the molecular formula C12H10O3 and a molecular weight of 202.21 g/mol. Its IUPAC name is (3S)-spiro[1,2-dihydroindene-3,3'-oxolane]-2',5'-dione.

Molecular Properties

Compound Name(3S)-spiro[1,2-dihydroindene-3,3'-oxolane]-2',5'-dione
PubChem CID129374458
Molecular FormulaC12H10O3
Molecular Weight202.21 g/mol
Exact Mass202.06
IUPAC Name(3S)-spiro[1,2-dihydroindene-3,3'-oxolane]-2',5'-dione
SMILESO=C1C[C@]2(CCc3ccccc32)C(=O)O1
InChIInChI=1S/C12H10O3/c13-10-7-12(11(14)15-10)6-5-8-3-1-2-4-9(8)12/h1-4H,5-7H2/t12-/m0/s1
InChIKeyJXJAHNQEJPFBPV-LBPRGKRZSA-N
XLogP1.34
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 51.34
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

spiro[1,2-dihydroindene-3,3'-pyrrolidine]-2'-one
CID 105442633
spiro[piperidine-5,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-2-one
CID 24846104
3-(2-fluorophenyl)-3-methyloxolane-2,5-dione
CID 43134872
spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione
CID 4230334
3,3'-spirobi[1,2-dihydroindene]-4-ol
CID 162403250
6'-methylspiro[1,2-dihydroindene-3,3'-2H-indene]-1'-one
CID 135045307
(1R,10R,11R,14S)-11,14-dimethyl-16-oxatetracyclo[8.4.3.01,10.02,7]heptadeca-2,4,6,12-tetraene-15,17-dione
CID 125035077
(3R)-4-(2-phenylphenoxy)phosphanyloxyspiro[1,2-dihydroindene-3,4'-3H-chromene]-2'-one
CID 176914205
spiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-2',4'-dione
CID 13053011
spiro[1,2-dihydroindene-3,4'-cyclohexane]-1'-one
CID 22357444
spiro[1,2-dihydroindene-3,7'-5,6-dihydrocyclopenta[b]pyridine]
CID 59325833
6'-propan-2-ylspiro[1,2-dihydroindene-3,3'-2H-indene]-1'-one
CID 135036043

Frequently Asked Questions

What is the IUPAC name of (3S)-spiro[1,2-dihydroindene-3,3'-oxolane]-2',5'-dione?
The IUPAC name of (3S)-spiro[1,2-dihydroindene-3,3'-oxolane]-2',5'-dione (CID 129374458) is (3S)-spiro[1,2-dihydroindene-3,3'-oxolane]-2',5'-dione.
What is the SMILES notation for (3S)-spiro[1,2-dihydroindene-3,3'-oxolane]-2',5'-dione?
The canonical SMILES for (3S)-spiro[1,2-dihydroindene-3,3'-oxolane]-2',5'-dione is O=C1C[C@]2(CCc3ccccc32)C(=O)O1.
What is the InChIKey of (3S)-spiro[1,2-dihydroindene-3,3'-oxolane]-2',5'-dione?
The InChIKey is JXJAHNQEJPFBPV-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H10O3/c13-10-7-12(11(14)15-10)6-5-8-3-1-2-4-9(8)12/h1-4H,5-7H2/t12-/m0/s1.
What are the key properties of (3S)-spiro[1,2-dihydroindene-3,3'-oxolane]-2',5'-dione?
(3S)-spiro[1,2-dihydroindene-3,3'-oxolane]-2',5'-dione has a molecular weight of 202.21 g/mol, XLogP of 1.34, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-spiro[1,2-dihydroindene-3,3'-oxolane]-2',5'-dione is sourced from PubChem (CID 129374458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).