methyl (1'R,3R)-5-hydroxyspiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxylate

C13H14O3 — CID 58379700

IUPACmethyl (1'R,3R)-5-hydroxyspiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxylate
SMILESCOC(=O)[C@@H]1C[C@]12CCc1ccc(O)cc12
InChIInChI=1S/C13H14O3/c1-16-12(15)11-7-13(11)5-4-8-2-3-9(14)6-10(8)13/h2-3,6,11,14H,4-5,7H2,1H3/t11-,13-/m0/s1
InChIKeySRQDRMPKUJJPRQ-AAEUAGOBSA-N
MW218.25 g/mol
LogP1.77
Rot. Bonds1

About methyl (1'R,3R)-5-hydroxyspiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxylate

methyl (1'R,3R)-5-hydroxyspiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxylate (PubChem CID 58379700) has the molecular formula C13H14O3 and a molecular weight of 218.25 g/mol. Its IUPAC name is methyl (1'R,3R)-5-hydroxyspiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxylate.

Molecular Properties

Compound Namemethyl (1'R,3R)-5-hydroxyspiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxylate
PubChem CID58379700
Molecular FormulaC13H14O3
Molecular Weight218.25 g/mol
Exact Mass218.09
IUPAC Namemethyl (1'R,3R)-5-hydroxyspiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxylate
SMILESCOC(=O)[C@@H]1C[C@]12CCc1ccc(O)cc12
InChIInChI=1S/C13H14O3/c1-16-12(15)11-7-13(11)5-4-8-2-3-9(14)6-10(8)13/h2-3,6,11,14H,4-5,7H2,1H3/t11-,13-/m0/s1
InChIKeySRQDRMPKUJJPRQ-AAEUAGOBSA-N
XLogP1.77
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl (1'R,3R)-5-hydroxyspiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl (1'R,3R)-5-hydroxyspiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxylate?
The IUPAC name of methyl (1'R,3R)-5-hydroxyspiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxylate (CID 58379700) is methyl (1'R,3R)-5-hydroxyspiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxylate.
What is the SMILES notation for methyl (1'R,3R)-5-hydroxyspiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxylate?
The canonical SMILES for methyl (1'R,3R)-5-hydroxyspiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxylate is COC(=O)[C@@H]1C[C@]12CCc1ccc(O)cc12.
What is the InChIKey of methyl (1'R,3R)-5-hydroxyspiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxylate?
The InChIKey is SRQDRMPKUJJPRQ-AAEUAGOBSA-N. The full InChI is InChI=1S/C13H14O3/c1-16-12(15)11-7-13(11)5-4-8-2-3-9(14)6-10(8)13/h2-3,6,11,14H,4-5,7H2,1H3/t11-,13-/m0/s1.
What are the key properties of methyl (1'R,3R)-5-hydroxyspiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxylate?
methyl (1'R,3R)-5-hydroxyspiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxylate has a molecular weight of 218.25 g/mol, XLogP of 1.77, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1'R,3R)-5-hydroxyspiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxylate is sourced from PubChem (CID 58379700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).