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

C17H13NO3 — CID 135032723

IUPACmethyl (10bR)-6-oxo-11H-isoindolo[2,1-a]indole-10b-carboxylate
SMILESCOC(=O)[C@]12Cc3ccccc3N1C(=O)c1ccccc12
InChIInChI=1S/C17H13NO3/c1-21-16(20)17-10-11-6-2-5-9-14(11)18(17)15(19)12-7-3-4-8-13(12)17/h2-9H,10H2,1H3/t17-/m1/s1
InChIKeyDLXOCAUNABGSPE-QGZVFWFLSA-N
MW279.30 g/mol
LogP2.27
Rot. Bonds1

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

methyl (10bR)-6-oxo-11H-isoindolo[2,1-a]indole-10b-carboxylate (PubChem CID 135032723) has the molecular formula C17H13NO3 and a molecular weight of 279.30 g/mol. Its IUPAC name is methyl (10bR)-6-oxo-11H-isoindolo[2,1-a]indole-10b-carboxylate.

Molecular Properties

Compound Namemethyl (10bR)-6-oxo-11H-isoindolo[2,1-a]indole-10b-carboxylate
PubChem CID135032723
Molecular FormulaC17H13NO3
Molecular Weight279.30 g/mol
Exact Mass279.09
IUPAC Namemethyl (10bR)-6-oxo-11H-isoindolo[2,1-a]indole-10b-carboxylate
SMILESCOC(=O)[C@]12Cc3ccccc3N1C(=O)c1ccccc12
InChIInChI=1S/C17H13NO3/c1-21-16(20)17-10-11-6-2-5-9-14(11)18(17)15(19)12-7-3-4-8-13(12)17/h2-9H,10H2,1H3/t17-/m1/s1
InChIKeyDLXOCAUNABGSPE-QGZVFWFLSA-N
XLogP2.27
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

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Related Compounds

(3aS,8bR)-4-benzoyl-8b-fluoro-1,3a-dihydrofuro[2,3-b]indol-2-one
CID 154714580
Ethyl 2-(4-fluorophenyl)-1,5,6-trimethyl-3-oxoisoindole-1-carboxylate
CID 68919292
10b-ethoxycarbonyl-10-fluoro-6-oxo-11H-isoindolo[2,1-a]indole-11-carboxylic acid
CID 155666656
10b-ethoxycarbonyl-3-fluoro-6-oxo-11H-isoindolo[2,1-a]indole-11-carboxylic acid
CID 155666664
10b-ethoxycarbonyl-9-fluoro-6-oxo-11H-isoindolo[2,1-a]indole-11-carboxylic acid
CID 155666671
10b-ethoxycarbonyl-2-fluoro-6-oxo-11H-isoindolo[2,1-a]indole-11-carboxylic acid
CID 155666674
10b-ethoxycarbonyl-7,8-difluoro-6-oxo-11H-isoindolo[2,1-a]indole-11-carboxylic acid
CID 155666681
methyl (10bS)-6-oxo-11H-isoindolo[2,1-a]indole-10b-carboxylate
CID 134953120
CID 134955946
CID 134955946
1-O-tert-butyl 2-O-methyl 2-phenyl-3H-indole-1,2-dicarboxylate
CID 162417719
3-methylbut-3-enyl (10bR,11R)-6-oxo-10b-phenyl-11H-isoindolo[2,1-a]indole-11-carboxylate
CID 164676216
methyl (10bR,11R)-6-oxo-10b-phenyl-11H-isoindolo[2,1-a]indole-11-carboxylate
CID 164676217

Frequently Asked Questions

What is the IUPAC name of methyl (10bR)-6-oxo-11H-isoindolo[2,1-a]indole-10b-carboxylate?
The IUPAC name of methyl (10bR)-6-oxo-11H-isoindolo[2,1-a]indole-10b-carboxylate (CID 135032723) is methyl (10bR)-6-oxo-11H-isoindolo[2,1-a]indole-10b-carboxylate.
What is the SMILES notation for methyl (10bR)-6-oxo-11H-isoindolo[2,1-a]indole-10b-carboxylate?
The canonical SMILES for methyl (10bR)-6-oxo-11H-isoindolo[2,1-a]indole-10b-carboxylate is COC(=O)[C@]12Cc3ccccc3N1C(=O)c1ccccc12.
What is the InChIKey of methyl (10bR)-6-oxo-11H-isoindolo[2,1-a]indole-10b-carboxylate?
The InChIKey is DLXOCAUNABGSPE-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H13NO3/c1-21-16(20)17-10-11-6-2-5-9-14(11)18(17)15(19)12-7-3-4-8-13(12)17/h2-9H,10H2,1H3/t17-/m1/s1.
What are the key properties of methyl (10bR)-6-oxo-11H-isoindolo[2,1-a]indole-10b-carboxylate?
methyl (10bR)-6-oxo-11H-isoindolo[2,1-a]indole-10b-carboxylate has a molecular weight of 279.30 g/mol, XLogP of 2.27, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (10bR)-6-oxo-11H-isoindolo[2,1-a]indole-10b-carboxylate is sourced from PubChem (CID 135032723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).