(10bR,11S)-10b-hydroxy-11-phenyl-11H-isoindolo[2,1-a]indol-6-one

C21H15NO2 — CID 101132842

IUPAC(10bR,11S)-10b-hydroxy-11-phenyl-11H-isoindolo[2,1-a]indol-6-one
SMILESO=C1c2ccccc2[C@]2(O)[C@@H](c3ccccc3)c3ccccc3N12
InChIInChI=1S/C21H15NO2/c23-20-15-10-4-6-12-17(15)21(24)19(14-8-2-1-3-9-14)16-11-5-7-13-18(16)22(20)21/h1-13,19,24H/t19-,21-/m0/s1
InChIKeyBYRJRRUFPZNQDP-FPOVZHCZSA-N
MW313.36 g/mol
LogP3.64
Rot. Bonds1

About (10bR,11S)-10b-hydroxy-11-phenyl-11H-isoindolo[2,1-a]indol-6-one

(10bR,11S)-10b-hydroxy-11-phenyl-11H-isoindolo[2,1-a]indol-6-one (PubChem CID 101132842) has the molecular formula C21H15NO2 and a molecular weight of 313.36 g/mol. Its IUPAC name is (10bR,11S)-10b-hydroxy-11-phenyl-11H-isoindolo[2,1-a]indol-6-one.

Molecular Properties

Compound Name(10bR,11S)-10b-hydroxy-11-phenyl-11H-isoindolo[2,1-a]indol-6-one
PubChem CID101132842
Molecular FormulaC21H15NO2
Molecular Weight313.36 g/mol
Exact Mass313.11
IUPAC Name(10bR,11S)-10b-hydroxy-11-phenyl-11H-isoindolo[2,1-a]indol-6-one
SMILESO=C1c2ccccc2[C@]2(O)[C@@H](c3ccccc3)c3ccccc3N12
InChIInChI=1S/C21H15NO2/c23-20-15-10-4-6-12-17(15)21(24)19(14-8-2-1-3-9-14)16-11-5-7-13-18(16)22(20)21/h1-13,19,24H/t19-,21-/m0/s1
InChIKeyBYRJRRUFPZNQDP-FPOVZHCZSA-N
XLogP3.64
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (10bR,11S)-10b-hydroxy-11-phenyl-11H-isoindolo[2,1-a]indol-6-one?
The IUPAC name of (10bR,11S)-10b-hydroxy-11-phenyl-11H-isoindolo[2,1-a]indol-6-one (CID 101132842) is (10bR,11S)-10b-hydroxy-11-phenyl-11H-isoindolo[2,1-a]indol-6-one.
What is the SMILES notation for (10bR,11S)-10b-hydroxy-11-phenyl-11H-isoindolo[2,1-a]indol-6-one?
The canonical SMILES for (10bR,11S)-10b-hydroxy-11-phenyl-11H-isoindolo[2,1-a]indol-6-one is O=C1c2ccccc2[C@]2(O)[C@@H](c3ccccc3)c3ccccc3N12.
What is the InChIKey of (10bR,11S)-10b-hydroxy-11-phenyl-11H-isoindolo[2,1-a]indol-6-one?
The InChIKey is BYRJRRUFPZNQDP-FPOVZHCZSA-N. The full InChI is InChI=1S/C21H15NO2/c23-20-15-10-4-6-12-17(15)21(24)19(14-8-2-1-3-9-14)16-11-5-7-13-18(16)22(20)21/h1-13,19,24H/t19-,21-/m0/s1.
What are the key properties of (10bR,11S)-10b-hydroxy-11-phenyl-11H-isoindolo[2,1-a]indol-6-one?
(10bR,11S)-10b-hydroxy-11-phenyl-11H-isoindolo[2,1-a]indol-6-one has a molecular weight of 313.36 g/mol, XLogP of 3.64, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (10bR,11S)-10b-hydroxy-11-phenyl-11H-isoindolo[2,1-a]indol-6-one is sourced from PubChem (CID 101132842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).