(2S,3S)-3-phenyl-3-spiro[2H-indole-3,1'-cyclopropane]-1-ylpropane-1,2-diol

C19H21NO2 — CID 151564587

IUPAC(2S,3S)-3-phenyl-3-spiro[2H-indole-3,1'-cyclopropane]-1-ylpropane-1,2-diol
SMILESOC[C@@H](O)[C@H](c1ccccc1)N1CC2(CC2)c2ccccc21
InChIInChI=1S/C19H21NO2/c21-12-17(22)18(14-6-2-1-3-7-14)20-13-19(10-11-19)15-8-4-5-9-16(15)20/h1-9,17-18,21-22H,10-13H2/t17-,18+/m1/s1
InChIKeyQDDZOVTXIYDDQH-MSOLQXFVSA-N
MW295.38 g/mol
LogP2.63
Rot. Bonds4

About (2S,3S)-3-phenyl-3-spiro[2H-indole-3,1'-cyclopropane]-1-ylpropane-1,2-diol

(2S,3S)-3-phenyl-3-spiro[2H-indole-3,1'-cyclopropane]-1-ylpropane-1,2-diol (PubChem CID 151564587) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is (2S,3S)-3-phenyl-3-spiro[2H-indole-3,1'-cyclopropane]-1-ylpropane-1,2-diol.

Molecular Properties

Compound Name(2S,3S)-3-phenyl-3-spiro[2H-indole-3,1'-cyclopropane]-1-ylpropane-1,2-diol
PubChem CID151564587
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name(2S,3S)-3-phenyl-3-spiro[2H-indole-3,1'-cyclopropane]-1-ylpropane-1,2-diol
SMILESOC[C@@H](O)[C@H](c1ccccc1)N1CC2(CC2)c2ccccc21
InChIInChI=1S/C19H21NO2/c21-12-17(22)18(14-6-2-1-3-7-14)20-13-19(10-11-19)15-8-4-5-9-16(15)20/h1-9,17-18,21-22H,10-13H2/t17-,18+/m1/s1
InChIKeyQDDZOVTXIYDDQH-MSOLQXFVSA-N
XLogP2.63
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-phenyl-3-spiro[2H-indole-3,1'-cyclopropane]-1-ylpropane-1,2-diol?
The IUPAC name of (2S,3S)-3-phenyl-3-spiro[2H-indole-3,1'-cyclopropane]-1-ylpropane-1,2-diol (CID 151564587) is (2S,3S)-3-phenyl-3-spiro[2H-indole-3,1'-cyclopropane]-1-ylpropane-1,2-diol.
What is the SMILES notation for (2S,3S)-3-phenyl-3-spiro[2H-indole-3,1'-cyclopropane]-1-ylpropane-1,2-diol?
The canonical SMILES for (2S,3S)-3-phenyl-3-spiro[2H-indole-3,1'-cyclopropane]-1-ylpropane-1,2-diol is OC[C@@H](O)[C@H](c1ccccc1)N1CC2(CC2)c2ccccc21.
What is the InChIKey of (2S,3S)-3-phenyl-3-spiro[2H-indole-3,1'-cyclopropane]-1-ylpropane-1,2-diol?
The InChIKey is QDDZOVTXIYDDQH-MSOLQXFVSA-N. The full InChI is InChI=1S/C19H21NO2/c21-12-17(22)18(14-6-2-1-3-7-14)20-13-19(10-11-19)15-8-4-5-9-16(15)20/h1-9,17-18,21-22H,10-13H2/t17-,18+/m1/s1.
What are the key properties of (2S,3S)-3-phenyl-3-spiro[2H-indole-3,1'-cyclopropane]-1-ylpropane-1,2-diol?
(2S,3S)-3-phenyl-3-spiro[2H-indole-3,1'-cyclopropane]-1-ylpropane-1,2-diol has a molecular weight of 295.38 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-phenyl-3-spiro[2H-indole-3,1'-cyclopropane]-1-ylpropane-1,2-diol is sourced from PubChem (CID 151564587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).