5-hydroxyspiro[1,2-dihydroindene-3,2'-cyclopentane]-1'-one

C13H14O2 — CID 166172267

IUPAC5-hydroxyspiro[1,2-dihydroindene-3,2'-cyclopentane]-1'-one
SMILESO=C1CCCC12CCc1ccc(O)cc12
InChIInChI=1S/C13H14O2/c14-10-4-3-9-5-7-13(11(9)8-10)6-1-2-12(13)15/h3-4,8,14H,1-2,5-7H2
InChIKeyJKRIIAPMMVPWAW-UHFFFAOYSA-N
MW202.25 g/mol
LogP2.33
Rot. Bonds

About 5-hydroxyspiro[1,2-dihydroindene-3,2'-cyclopentane]-1'-one

5-hydroxyspiro[1,2-dihydroindene-3,2'-cyclopentane]-1'-one (PubChem CID 166172267) has the molecular formula C13H14O2 and a molecular weight of 202.25 g/mol. Its IUPAC name is 5-hydroxyspiro[1,2-dihydroindene-3,2'-cyclopentane]-1'-one.

Molecular Properties

Compound Name5-hydroxyspiro[1,2-dihydroindene-3,2'-cyclopentane]-1'-one
PubChem CID166172267
Molecular FormulaC13H14O2
Molecular Weight202.25 g/mol
Exact Mass202.10
IUPAC Name5-hydroxyspiro[1,2-dihydroindene-3,2'-cyclopentane]-1'-one
SMILESO=C1CCCC12CCc1ccc(O)cc12
InChIInChI=1S/C13H14O2/c14-10-4-3-9-5-7-13(11(9)8-10)6-1-2-12(13)15/h3-4,8,14H,1-2,5-7H2
InChIKeyJKRIIAPMMVPWAW-UHFFFAOYSA-N
XLogP2.33
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxyspiro[1,2-dihydroindene-3,2'-cyclopentane]-1'-one?
The IUPAC name of 5-hydroxyspiro[1,2-dihydroindene-3,2'-cyclopentane]-1'-one (CID 166172267) is 5-hydroxyspiro[1,2-dihydroindene-3,2'-cyclopentane]-1'-one.
What is the SMILES notation for 5-hydroxyspiro[1,2-dihydroindene-3,2'-cyclopentane]-1'-one?
The canonical SMILES for 5-hydroxyspiro[1,2-dihydroindene-3,2'-cyclopentane]-1'-one is O=C1CCCC12CCc1ccc(O)cc12.
What is the InChIKey of 5-hydroxyspiro[1,2-dihydroindene-3,2'-cyclopentane]-1'-one?
The InChIKey is JKRIIAPMMVPWAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O2/c14-10-4-3-9-5-7-13(11(9)8-10)6-1-2-12(13)15/h3-4,8,14H,1-2,5-7H2.
What are the key properties of 5-hydroxyspiro[1,2-dihydroindene-3,2'-cyclopentane]-1'-one?
5-hydroxyspiro[1,2-dihydroindene-3,2'-cyclopentane]-1'-one has a molecular weight of 202.25 g/mol, XLogP of 2.33, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxyspiro[1,2-dihydroindene-3,2'-cyclopentane]-1'-one is sourced from PubChem (CID 166172267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).