(1S,2S)-1-hydroxyspiro[1,3-dihydroindene-2,3'-1H-indole]-2'-one

C16H13NO2 — CID 134951476

IUPAC(1S,2S)-1-hydroxyspiro[1,3-dihydroindene-2,3'-1H-indole]-2'-one
SMILESO=C1Nc2ccccc2[C@]12Cc1ccccc1[C@@H]2O
InChIInChI=1S/C16H13NO2/c18-14-11-6-2-1-5-10(11)9-16(14)12-7-3-4-8-13(12)17-15(16)19/h1-8,14,18H,9H2,(H,17,19)/t14-,16-/m0/s1
InChIKeyVMSKIRDPGUEJCO-HOCLYGCPSA-N
MW251.29 g/mol
LogP2.17
Rot. Bonds

About (1S,2S)-1-hydroxyspiro[1,3-dihydroindene-2,3'-1H-indole]-2'-one

(1S,2S)-1-hydroxyspiro[1,3-dihydroindene-2,3'-1H-indole]-2'-one (PubChem CID 134951476) has the molecular formula C16H13NO2 and a molecular weight of 251.29 g/mol. Its IUPAC name is (1S,2S)-1-hydroxyspiro[1,3-dihydroindene-2,3'-1H-indole]-2'-one.

Molecular Properties

Compound Name(1S,2S)-1-hydroxyspiro[1,3-dihydroindene-2,3'-1H-indole]-2'-one
PubChem CID134951476
Molecular FormulaC16H13NO2
Molecular Weight251.29 g/mol
Exact Mass251.09
IUPAC Name(1S,2S)-1-hydroxyspiro[1,3-dihydroindene-2,3'-1H-indole]-2'-one
SMILESO=C1Nc2ccccc2[C@]12Cc1ccccc1[C@@H]2O
InChIInChI=1S/C16H13NO2/c18-14-11-6-2-1-5-10(11)9-16(14)12-7-3-4-8-13(12)17-15(16)19/h1-8,14,18H,9H2,(H,17,19)/t14-,16-/m0/s1
InChIKeyVMSKIRDPGUEJCO-HOCLYGCPSA-N
XLogP2.17
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1S,2S)-1-hydroxyspiro[1,3-dihydroindene-2,3'-1H-indole]-2'-one 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 (1S,2S)-1-hydroxyspiro[1,3-dihydroindene-2,3'-1H-indole]-2'-one?
The IUPAC name of (1S,2S)-1-hydroxyspiro[1,3-dihydroindene-2,3'-1H-indole]-2'-one (CID 134951476) is (1S,2S)-1-hydroxyspiro[1,3-dihydroindene-2,3'-1H-indole]-2'-one.
What is the SMILES notation for (1S,2S)-1-hydroxyspiro[1,3-dihydroindene-2,3'-1H-indole]-2'-one?
The canonical SMILES for (1S,2S)-1-hydroxyspiro[1,3-dihydroindene-2,3'-1H-indole]-2'-one is O=C1Nc2ccccc2[C@]12Cc1ccccc1[C@@H]2O.
What is the InChIKey of (1S,2S)-1-hydroxyspiro[1,3-dihydroindene-2,3'-1H-indole]-2'-one?
The InChIKey is VMSKIRDPGUEJCO-HOCLYGCPSA-N. The full InChI is InChI=1S/C16H13NO2/c18-14-11-6-2-1-5-10(11)9-16(14)12-7-3-4-8-13(12)17-15(16)19/h1-8,14,18H,9H2,(H,17,19)/t14-,16-/m0/s1.
What are the key properties of (1S,2S)-1-hydroxyspiro[1,3-dihydroindene-2,3'-1H-indole]-2'-one?
(1S,2S)-1-hydroxyspiro[1,3-dihydroindene-2,3'-1H-indole]-2'-one has a molecular weight of 251.29 g/mol, XLogP of 2.17, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-1-hydroxyspiro[1,3-dihydroindene-2,3'-1H-indole]-2'-one is sourced from PubChem (CID 134951476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).