methyl (10bR,11R)-6-oxo-10b-phenyl-11H-isoindolo[2,1-a]indole-11-carboxylate

C23H17NO3 — CID 164676217

IUPACmethyl (10bR,11R)-6-oxo-10b-phenyl-11H-isoindolo[2,1-a]indole-11-carboxylate
SMILESCOC(=O)[C@@H]1c2ccccc2N2C(=O)c3ccccc3[C@]12c1ccccc1
InChIInChI=1S/C23H17NO3/c1-27-22(26)20-17-12-6-8-14-19(17)24-21(25)16-11-5-7-13-18(16)23(20,24)15-9-3-2-4-10-15/h2-14,20H,1H3/t20-,23+/m0/s1
InChIKeyFKKKFZKTJXUMKY-NZQKXSOJSA-N
MW355.39 g/mol
LogP3.86
Rot. Bonds2

About methyl (10bR,11R)-6-oxo-10b-phenyl-11H-isoindolo[2,1-a]indole-11-carboxylate

methyl (10bR,11R)-6-oxo-10b-phenyl-11H-isoindolo[2,1-a]indole-11-carboxylate (PubChem CID 164676217) has the molecular formula C23H17NO3 and a molecular weight of 355.39 g/mol. Its IUPAC name is methyl (10bR,11R)-6-oxo-10b-phenyl-11H-isoindolo[2,1-a]indole-11-carboxylate.

Molecular Properties

Compound Namemethyl (10bR,11R)-6-oxo-10b-phenyl-11H-isoindolo[2,1-a]indole-11-carboxylate
PubChem CID164676217
Molecular FormulaC23H17NO3
Molecular Weight355.39 g/mol
Exact Mass355.12
IUPAC Namemethyl (10bR,11R)-6-oxo-10b-phenyl-11H-isoindolo[2,1-a]indole-11-carboxylate
SMILESCOC(=O)[C@@H]1c2ccccc2N2C(=O)c3ccccc3[C@]12c1ccccc1
InChIInChI=1S/C23H17NO3/c1-27-22(26)20-17-12-6-8-14-19(17)24-21(25)16-11-5-7-13-18(16)23(20,24)15-9-3-2-4-10-15/h2-14,20H,1H3/t20-,23+/m0/s1
InChIKeyFKKKFZKTJXUMKY-NZQKXSOJSA-N
XLogP3.86
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl (10bR,11R)-6-oxo-10b-phenyl-11H-isoindolo[2,1-a]indole-11-carboxylate with MolForge

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Related Compounds

(10bS)-10b-(4-fluorophenyl)-11H-isoindolo[2,1-a]indol-6-one
CID 135032726
2-[4-(3-oxo-1H-isoindol-2-yl)-3-phenylphenyl]propanoic acid
CID 68031194
Methyl 2-(4-(1-oxoisoindolin-2-yl)phenyl)propanoate
CID 616908
(10bR,11S)-10b-hydroxy-11-phenyl-11H-isoindolo[2,1-a]indol-6-one
CID 101132842
(1R)-13-azapentacyclo[11.7.0.01,6.07,12.015,20]icosa-5,7,9,11,15,17,19-heptaene-4,14-dione
CID 102236216
(10bS)-10b-methyl-11H-isoindolo[2,1-a]indol-6-one
CID 122375424
(1S)-13-azapentacyclo[11.7.0.01,6.07,12.015,20]icosa-5,7,9,11,15,17,19-heptaene-4,14-dione
CID 132558933
(10bS,11R)-10b-methyl-11-(2-phenylethynyl)-11H-isoindolo[2,1-a]indol-6-one
CID 132575838
methyl (10bS)-6-oxo-11H-isoindolo[2,1-a]indole-10b-carboxylate
CID 134953120
(10bR)-10b-phenyl-11H-isoindolo[2,1-a]indol-6-one
CID 134953284
(10bR,11S)-6-oxo-10b-(3-phenylmethoxypropyl)-11H-isoindolo[2,1-a]indole-11-carbonitrile
CID 134954136
(10bS)-10b-(4-methylphenyl)-11H-isoindolo[2,1-a]indol-6-one
CID 134961503

Frequently Asked Questions

What is the IUPAC name of methyl (10bR,11R)-6-oxo-10b-phenyl-11H-isoindolo[2,1-a]indole-11-carboxylate?
The IUPAC name of methyl (10bR,11R)-6-oxo-10b-phenyl-11H-isoindolo[2,1-a]indole-11-carboxylate (CID 164676217) is methyl (10bR,11R)-6-oxo-10b-phenyl-11H-isoindolo[2,1-a]indole-11-carboxylate.
What is the SMILES notation for methyl (10bR,11R)-6-oxo-10b-phenyl-11H-isoindolo[2,1-a]indole-11-carboxylate?
The canonical SMILES for methyl (10bR,11R)-6-oxo-10b-phenyl-11H-isoindolo[2,1-a]indole-11-carboxylate is COC(=O)[C@@H]1c2ccccc2N2C(=O)c3ccccc3[C@]12c1ccccc1.
What is the InChIKey of methyl (10bR,11R)-6-oxo-10b-phenyl-11H-isoindolo[2,1-a]indole-11-carboxylate?
The InChIKey is FKKKFZKTJXUMKY-NZQKXSOJSA-N. The full InChI is InChI=1S/C23H17NO3/c1-27-22(26)20-17-12-6-8-14-19(17)24-21(25)16-11-5-7-13-18(16)23(20,24)15-9-3-2-4-10-15/h2-14,20H,1H3/t20-,23+/m0/s1.
What are the key properties of methyl (10bR,11R)-6-oxo-10b-phenyl-11H-isoindolo[2,1-a]indole-11-carboxylate?
methyl (10bR,11R)-6-oxo-10b-phenyl-11H-isoindolo[2,1-a]indole-11-carboxylate has a molecular weight of 355.39 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (10bR,11R)-6-oxo-10b-phenyl-11H-isoindolo[2,1-a]indole-11-carboxylate is sourced from PubChem (CID 164676217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).