(11bR)-9-methyl-1,2,5,6,11,11b-hexahydroindolizino[8,7-b]indol-3-one

C15H16N2O — CID 139258691

IUPAC(11bR)-9-methyl-1,2,5,6,11,11b-hexahydroindolizino[8,7-b]indol-3-one
SMILESCc1ccc2c3c([nH]c2c1)[C@H]1CCC(=O)N1CC3
InChIInChI=1S/C15H16N2O/c1-9-2-3-10-11-6-7-17-13(4-5-14(17)18)15(11)16-12(10)8-9/h2-3,8,13,16H,4-7H2,1H3/t13-/m1/s1
InChIKeyWAIWCJDQJBSRRZ-CYBMUJFWSA-N
MW240.31 g/mol
LogP2.70
Rot. Bonds

About (11bR)-9-methyl-1,2,5,6,11,11b-hexahydroindolizino[8,7-b]indol-3-one

(11bR)-9-methyl-1,2,5,6,11,11b-hexahydroindolizino[8,7-b]indol-3-one (PubChem CID 139258691) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is (11bR)-9-methyl-1,2,5,6,11,11b-hexahydroindolizino[8,7-b]indol-3-one.

Molecular Properties

Compound Name(11bR)-9-methyl-1,2,5,6,11,11b-hexahydroindolizino[8,7-b]indol-3-one
PubChem CID139258691
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name(11bR)-9-methyl-1,2,5,6,11,11b-hexahydroindolizino[8,7-b]indol-3-one
SMILESCc1ccc2c3c([nH]c2c1)[C@H]1CCC(=O)N1CC3
InChIInChI=1S/C15H16N2O/c1-9-2-3-10-11-6-7-17-13(4-5-14(17)18)15(11)16-12(10)8-9/h2-3,8,13,16H,4-7H2,1H3/t13-/m1/s1
InChIKeyWAIWCJDQJBSRRZ-CYBMUJFWSA-N
XLogP2.70
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze (11bR)-9-methyl-1,2,5,6,11,11b-hexahydroindolizino[8,7-b]indol-3-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 (11bR)-9-methyl-1,2,5,6,11,11b-hexahydroindolizino[8,7-b]indol-3-one?
The IUPAC name of (11bR)-9-methyl-1,2,5,6,11,11b-hexahydroindolizino[8,7-b]indol-3-one (CID 139258691) is (11bR)-9-methyl-1,2,5,6,11,11b-hexahydroindolizino[8,7-b]indol-3-one.
What is the SMILES notation for (11bR)-9-methyl-1,2,5,6,11,11b-hexahydroindolizino[8,7-b]indol-3-one?
The canonical SMILES for (11bR)-9-methyl-1,2,5,6,11,11b-hexahydroindolizino[8,7-b]indol-3-one is Cc1ccc2c3c([nH]c2c1)[C@H]1CCC(=O)N1CC3.
What is the InChIKey of (11bR)-9-methyl-1,2,5,6,11,11b-hexahydroindolizino[8,7-b]indol-3-one?
The InChIKey is WAIWCJDQJBSRRZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H16N2O/c1-9-2-3-10-11-6-7-17-13(4-5-14(17)18)15(11)16-12(10)8-9/h2-3,8,13,16H,4-7H2,1H3/t13-/m1/s1.
What are the key properties of (11bR)-9-methyl-1,2,5,6,11,11b-hexahydroindolizino[8,7-b]indol-3-one?
(11bR)-9-methyl-1,2,5,6,11,11b-hexahydroindolizino[8,7-b]indol-3-one has a molecular weight of 240.31 g/mol, XLogP of 2.70, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (11bR)-9-methyl-1,2,5,6,11,11b-hexahydroindolizino[8,7-b]indol-3-one is sourced from PubChem (CID 139258691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).