(3S)-4-methoxyspiro[1,2-dihydroindene-3,5'-pyrrolidine]-2'-ol

C13H17NO2 — CID 175048904

IUPAC(3S)-4-methoxyspiro[1,2-dihydroindene-3,5'-pyrrolidine]-2'-ol
SMILESCOc1cccc2c1[C@]1(CC2)CCC(O)N1
InChIInChI=1S/C13H17NO2/c1-16-10-4-2-3-9-5-7-13(12(9)10)8-6-11(15)14-13/h2-4,11,14-15H,5-8H2,1H3/t11?,13-/m0/s1
InChIKeySPGJJPOADWSHQM-YUZLPWPTSA-N
MW219.28 g/mol
LogP1.54
Rot. Bonds1

About (3S)-4-methoxyspiro[1,2-dihydroindene-3,5'-pyrrolidine]-2'-ol

(3S)-4-methoxyspiro[1,2-dihydroindene-3,5'-pyrrolidine]-2'-ol (PubChem CID 175048904) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is (3S)-4-methoxyspiro[1,2-dihydroindene-3,5'-pyrrolidine]-2'-ol.

Molecular Properties

Compound Name(3S)-4-methoxyspiro[1,2-dihydroindene-3,5'-pyrrolidine]-2'-ol
PubChem CID175048904
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name(3S)-4-methoxyspiro[1,2-dihydroindene-3,5'-pyrrolidine]-2'-ol
SMILESCOc1cccc2c1[C@]1(CC2)CCC(O)N1
InChIInChI=1S/C13H17NO2/c1-16-10-4-2-3-9-5-7-13(12(9)10)8-6-11(15)14-13/h2-4,11,14-15H,5-8H2,1H3/t11?,13-/m0/s1
InChIKeySPGJJPOADWSHQM-YUZLPWPTSA-N
XLogP1.54
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-4-methoxy-3-methyl-1,2-dihydroindene
CID 84718384
8-methoxy-2-propan-2-yl-1,2,3,4-tetrahydroquinolin-3-ol
CID 165468231
8-methoxyspiro[3,4-dihydronaphthalene-1,1'-cyclopropane]-2-one
CID 115010910
5-methoxy-1,2,3,4-tetrahydronaphthalene-2,3-diol
CID 123352888
(8-methoxyspiro[3,4-dihydro-2H-naphthalene-1,4'-oxane]-2-yl)methanamine
CID 115057237
(5-methoxy-2-methyl-3,4-dihydro-1H-naphthalen-2-yl)methanamine
CID 84722148
1,8-dimethoxy-9,10-dihydroanthracene-9,10-diol
CID 12651971
1-(5-methoxy-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)cyclopropan-1-amine
CID 105443737
3-(2,6-dimethoxyphenyl)-8-thiabicyclo[3.2.1]octan-3-ol
CID 171955282
5-methoxy-3,3-dimethyl-2,4-dihydro-1H-naphthalene
CID 177395557
1-(2,6-dimethoxyphenyl)-2-ethylcyclohexan-1-ol
CID 116809729
7-(2-methoxyphenyl)-4-azaspiro[2.4]heptane
CID 105455554

Frequently Asked Questions

What is the IUPAC name of (3S)-4-methoxyspiro[1,2-dihydroindene-3,5'-pyrrolidine]-2'-ol?
The IUPAC name of (3S)-4-methoxyspiro[1,2-dihydroindene-3,5'-pyrrolidine]-2'-ol (CID 175048904) is (3S)-4-methoxyspiro[1,2-dihydroindene-3,5'-pyrrolidine]-2'-ol.
What is the SMILES notation for (3S)-4-methoxyspiro[1,2-dihydroindene-3,5'-pyrrolidine]-2'-ol?
The canonical SMILES for (3S)-4-methoxyspiro[1,2-dihydroindene-3,5'-pyrrolidine]-2'-ol is COc1cccc2c1[C@]1(CC2)CCC(O)N1.
What is the InChIKey of (3S)-4-methoxyspiro[1,2-dihydroindene-3,5'-pyrrolidine]-2'-ol?
The InChIKey is SPGJJPOADWSHQM-YUZLPWPTSA-N. The full InChI is InChI=1S/C13H17NO2/c1-16-10-4-2-3-9-5-7-13(12(9)10)8-6-11(15)14-13/h2-4,11,14-15H,5-8H2,1H3/t11?,13-/m0/s1.
What are the key properties of (3S)-4-methoxyspiro[1,2-dihydroindene-3,5'-pyrrolidine]-2'-ol?
(3S)-4-methoxyspiro[1,2-dihydroindene-3,5'-pyrrolidine]-2'-ol has a molecular weight of 219.28 g/mol, XLogP of 1.54, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-methoxyspiro[1,2-dihydroindene-3,5'-pyrrolidine]-2'-ol is sourced from PubChem (CID 175048904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).