[(2S,2'R,3R)-2-phenylspiro[1,2-dihydroindole-3,3'-pyrrolidine]-2'-yl]methanol

C18H20N2O — CID 125497562

IUPAC[(2S,2'R,3R)-2-phenylspiro[1,2-dihydroindole-3,3'-pyrrolidine]-2'-yl]methanol
SMILESOC[C@@H]1NCC[C@]12c1ccccc1N[C@H]2c1ccccc1
InChIInChI=1S/C18H20N2O/c21-12-16-18(10-11-19-16)14-8-4-5-9-15(14)20-17(18)13-6-2-1-3-7-13/h1-9,16-17,19-21H,10-12H2/t16-,17-,18-/m0/s1
InChIKeyPIJJKUWTSBAZKU-BZSNNMDCSA-N
MW280.37 g/mol
LogP2.45
Rot. Bonds2

About [(2S,2'R,3R)-2-phenylspiro[1,2-dihydroindole-3,3'-pyrrolidine]-2'-yl]methanol

[(2S,2'R,3R)-2-phenylspiro[1,2-dihydroindole-3,3'-pyrrolidine]-2'-yl]methanol (PubChem CID 125497562) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is [(2S,2'R,3R)-2-phenylspiro[1,2-dihydroindole-3,3'-pyrrolidine]-2'-yl]methanol.

Molecular Properties

Compound Name[(2S,2'R,3R)-2-phenylspiro[1,2-dihydroindole-3,3'-pyrrolidine]-2'-yl]methanol
PubChem CID125497562
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name[(2S,2'R,3R)-2-phenylspiro[1,2-dihydroindole-3,3'-pyrrolidine]-2'-yl]methanol
SMILESOC[C@@H]1NCC[C@]12c1ccccc1N[C@H]2c1ccccc1
InChIInChI=1S/C18H20N2O/c21-12-16-18(10-11-19-16)14-8-4-5-9-15(14)20-17(18)13-6-2-1-3-7-13/h1-9,16-17,19-21H,10-12H2/t16-,17-,18-/m0/s1
InChIKeyPIJJKUWTSBAZKU-BZSNNMDCSA-N
XLogP2.45
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze [(2S,2'R,3R)-2-phenylspiro[1,2-dihydroindole-3,3'-pyrrolidine]-2'-yl]methanol with MolForge

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Related Compounds

(3aR,4R,9bS)-3a-methyl-4-phenyl-1,2,3,4,5,9b-hexahydropyrrolo[3,2-c]quinoline;(3aS,4S,9bR)-3a-methyl-4-phenyl-1,2,3,4,5,9b-hexahydropyrrolo[3,2-c]quinoline;tetrahydrochloride
CID 162190975
3,13-diazapentacyclo[12.3.1.02,10.04,9.010,15]octadeca-4,6,8-trien-18-ol
CID 12868132
3,3-diethyl-2-phenylpyrrolidine
CID 62721295
[(2R,3S)-3-phenylpyrrolidin-2-yl]methanol
CID 98008478
3,3-difluoro-2-phenylpyrrolidine;hydrochloride
CID 84724544
(8bS)-8b-methyl-2,3,3a,4-tetrahydro-1H-pyrrolo[2,3-b]indole
CID 141076410
(5R)-5-phenyl-1,4-diazepane
CID 124583394
(4S,6S)-2,2-bis(hydroxymethyl)-4-methyl-6-phenylpiperidin-4-ol
CID 23244042
(2S)-2-deuterio-3,3-dimethyl-2-phenyl-1H-indole
CID 102592929
3-methyl-2,3-diphenylpyrrolidine
CID 62722920
4-phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine
CID 2771647
(2'S,3S)-2'-ethylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 131857394

Frequently Asked Questions

What is the IUPAC name of [(2S,2'R,3R)-2-phenylspiro[1,2-dihydroindole-3,3'-pyrrolidine]-2'-yl]methanol?
The IUPAC name of [(2S,2'R,3R)-2-phenylspiro[1,2-dihydroindole-3,3'-pyrrolidine]-2'-yl]methanol (CID 125497562) is [(2S,2'R,3R)-2-phenylspiro[1,2-dihydroindole-3,3'-pyrrolidine]-2'-yl]methanol.
What is the SMILES notation for [(2S,2'R,3R)-2-phenylspiro[1,2-dihydroindole-3,3'-pyrrolidine]-2'-yl]methanol?
The canonical SMILES for [(2S,2'R,3R)-2-phenylspiro[1,2-dihydroindole-3,3'-pyrrolidine]-2'-yl]methanol is OC[C@@H]1NCC[C@]12c1ccccc1N[C@H]2c1ccccc1.
What is the InChIKey of [(2S,2'R,3R)-2-phenylspiro[1,2-dihydroindole-3,3'-pyrrolidine]-2'-yl]methanol?
The InChIKey is PIJJKUWTSBAZKU-BZSNNMDCSA-N. The full InChI is InChI=1S/C18H20N2O/c21-12-16-18(10-11-19-16)14-8-4-5-9-15(14)20-17(18)13-6-2-1-3-7-13/h1-9,16-17,19-21H,10-12H2/t16-,17-,18-/m0/s1.
What are the key properties of [(2S,2'R,3R)-2-phenylspiro[1,2-dihydroindole-3,3'-pyrrolidine]-2'-yl]methanol?
[(2S,2'R,3R)-2-phenylspiro[1,2-dihydroindole-3,3'-pyrrolidine]-2'-yl]methanol has a molecular weight of 280.37 g/mol, XLogP of 2.45, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,2'R,3R)-2-phenylspiro[1,2-dihydroindole-3,3'-pyrrolidine]-2'-yl]methanol is sourced from PubChem (CID 125497562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).