(11bR)-3-oxo-2,5,6,11-tetrahydro-1H-indolizino[8,7-b]indole-11b-carboxylate

C15H13N2O3- — CID 2094166

IUPAC(11bR)-3-oxo-2,5,6,11-tetrahydro-1H-indolizino[8,7-b]indole-11b-carboxylate
SMILESO=C1CC[C@]2(C(=O)[O-])c3[nH]c4ccccc4c3CCN12
InChIInChI=1S/C15H14N2O3/c18-12-5-7-15(14(19)20)13-10(6-8-17(12)15)9-3-1-2-4-11(9)16-13/h1-4,16H,5-8H2,(H,19,20)/p-1/t15-/m1/s1
InChIKeyHSWYEPMNNMULBW-OAHLLOKOSA-M
MW269.28 g/mol
LogP0.29
Rot. Bonds1

About (11bR)-3-oxo-2,5,6,11-tetrahydro-1H-indolizino[8,7-b]indole-11b-carboxylate

(11bR)-3-oxo-2,5,6,11-tetrahydro-1H-indolizino[8,7-b]indole-11b-carboxylate (PubChem CID 2094166) has the molecular formula C15H13N2O3- and a molecular weight of 269.28 g/mol. Its IUPAC name is (11bR)-3-oxo-2,5,6,11-tetrahydro-1H-indolizino[8,7-b]indole-11b-carboxylate.

Molecular Properties

Compound Name(11bR)-3-oxo-2,5,6,11-tetrahydro-1H-indolizino[8,7-b]indole-11b-carboxylate
PubChem CID2094166
Molecular FormulaC15H13N2O3-
Molecular Weight269.28 g/mol
Exact Mass269.09
IUPAC Name(11bR)-3-oxo-2,5,6,11-tetrahydro-1H-indolizino[8,7-b]indole-11b-carboxylate
SMILESO=C1CC[C@]2(C(=O)[O-])c3[nH]c4ccccc4c3CCN12
InChIInChI=1S/C15H14N2O3/c18-12-5-7-15(14(19)20)13-10(6-8-17(12)15)9-3-1-2-4-11(9)16-13/h1-4,16H,5-8H2,(H,19,20)/p-1/t15-/m1/s1
InChIKeyHSWYEPMNNMULBW-OAHLLOKOSA-M
XLogP0.29
TPSA76.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (11bR)-3-oxo-2,5,6,11-tetrahydro-1H-indolizino[8,7-b]indole-11b-carboxylate with MolForge

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Related Compounds

(6R,11bR)-6-(2,3-dimethoxyphenyl)-3-oxo-2,5,6,11-tetrahydro-1H-indolizino[8,7-b]indole-11b-carboxylate
CID 2405385
(12bR)-12b-butyl-1,2,3,6,7,12-hexahydroindolo[2,3-a]quinolizin-4-one
CID 23874775
2-hydroxy-10,20-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),3,5,7,14,16,18-heptaen-9-one
CID 12620465
(2S)-3-methyl-2-[(2S)-2-methyl-3,5-dioxo-4,6,16-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),10,12,14-tetraen-4-yl]butanoate
CID 7092742
(11bR)-11b-methyl-6,11-dihydro-5H-indolizino[8,7-b]indol-3-one
CID 23789353
ethyl (1S,12bS)-12b-methyl-4-oxo-1,2,3,6,7,12-hexahydroindolo[2,3-a]quinolizine-1-carboxylate
CID 101256710
(2R)-5-(4-fluorophenyl)-2-methyl-5,7,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),11,13,15-tetraen-6-one
CID 102440811
2-acetylspiro[4,9-dihydro-3H-pyrido[3,4-b]indole-1,2'-cyclohexane]-1'-one
CID 12863267
(1R)-1-hydroxy-21-methyl-3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,15,17,19-heptaen-14-one
CID 92966422
1-methyl-2,3,4,9-tetrahydropyrido[3,4-b]indol-2-ium-1-carboxylate
CID 4247395
4-(2-methyl-3,5-dioxo-4,6,16-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),10,12,14-tetraen-4-yl)benzoic acid
CID 3801996
3,13,15-triazapentacyclo[13.2.2.01,13.02,10.04,9]nonadeca-2(10),4,6,8-tetraen-14-ylidenecyanamide
CID 10062877

Frequently Asked Questions

What is the IUPAC name of (11bR)-3-oxo-2,5,6,11-tetrahydro-1H-indolizino[8,7-b]indole-11b-carboxylate?
The IUPAC name of (11bR)-3-oxo-2,5,6,11-tetrahydro-1H-indolizino[8,7-b]indole-11b-carboxylate (CID 2094166) is (11bR)-3-oxo-2,5,6,11-tetrahydro-1H-indolizino[8,7-b]indole-11b-carboxylate.
What is the SMILES notation for (11bR)-3-oxo-2,5,6,11-tetrahydro-1H-indolizino[8,7-b]indole-11b-carboxylate?
The canonical SMILES for (11bR)-3-oxo-2,5,6,11-tetrahydro-1H-indolizino[8,7-b]indole-11b-carboxylate is O=C1CC[C@]2(C(=O)[O-])c3[nH]c4ccccc4c3CCN12.
What is the InChIKey of (11bR)-3-oxo-2,5,6,11-tetrahydro-1H-indolizino[8,7-b]indole-11b-carboxylate?
The InChIKey is HSWYEPMNNMULBW-OAHLLOKOSA-M. The full InChI is InChI=1S/C15H14N2O3/c18-12-5-7-15(14(19)20)13-10(6-8-17(12)15)9-3-1-2-4-11(9)16-13/h1-4,16H,5-8H2,(H,19,20)/p-1/t15-/m1/s1.
What are the key properties of (11bR)-3-oxo-2,5,6,11-tetrahydro-1H-indolizino[8,7-b]indole-11b-carboxylate?
(11bR)-3-oxo-2,5,6,11-tetrahydro-1H-indolizino[8,7-b]indole-11b-carboxylate has a molecular weight of 269.28 g/mol, XLogP of 0.29, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (11bR)-3-oxo-2,5,6,11-tetrahydro-1H-indolizino[8,7-b]indole-11b-carboxylate is sourced from PubChem (CID 2094166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).