(11bR)-9-fluoro-7-(1-methoxyethenyl)-11b-methyl-2,3,5,11-tetrahydro-1H-indolizino[8,7-b]indol-6-one

C18H19FN2O2 — CID 138725230

IUPAC(11bR)-9-fluoro-7-(1-methoxyethenyl)-11b-methyl-2,3,5,11-tetrahydro-1H-indolizino[8,7-b]indol-6-one
SMILESC=C(OC)c1cc(F)cc2[nH]c3c(c12)C(=O)CN1CCC[C@]31C
InChIInChI=1S/C18H19FN2O2/c1-10(23-3)12-7-11(19)8-13-15(12)16-14(22)9-21-6-4-5-18(21,2)17(16)20-13/h7-8,20H,1,4-6,9H2,2-3H3/t18-/m1/s1
InChIKeyKFEBXWMZXUQCEZ-GOSISDBHSA-N
MW314.36 g/mol
LogP3.43
Rot. Bonds2

About (11bR)-9-fluoro-7-(1-methoxyethenyl)-11b-methyl-2,3,5,11-tetrahydro-1H-indolizino[8,7-b]indol-6-one

(11bR)-9-fluoro-7-(1-methoxyethenyl)-11b-methyl-2,3,5,11-tetrahydro-1H-indolizino[8,7-b]indol-6-one (PubChem CID 138725230) has the molecular formula C18H19FN2O2 and a molecular weight of 314.36 g/mol. Its IUPAC name is (11bR)-9-fluoro-7-(1-methoxyethenyl)-11b-methyl-2,3,5,11-tetrahydro-1H-indolizino[8,7-b]indol-6-one.

Molecular Properties

Compound Name(11bR)-9-fluoro-7-(1-methoxyethenyl)-11b-methyl-2,3,5,11-tetrahydro-1H-indolizino[8,7-b]indol-6-one
PubChem CID138725230
Molecular FormulaC18H19FN2O2
Molecular Weight314.36 g/mol
Exact Mass314.14
IUPAC Name(11bR)-9-fluoro-7-(1-methoxyethenyl)-11b-methyl-2,3,5,11-tetrahydro-1H-indolizino[8,7-b]indol-6-one
SMILESC=C(OC)c1cc(F)cc2[nH]c3c(c12)C(=O)CN1CCC[C@]31C
InChIInChI=1S/C18H19FN2O2/c1-10(23-3)12-7-11(19)8-13-15(12)16-14(22)9-21-6-4-5-18(21,2)17(16)20-13/h7-8,20H,1,4-6,9H2,2-3H3/t18-/m1/s1
InChIKeyKFEBXWMZXUQCEZ-GOSISDBHSA-N
XLogP3.43
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (11bR)-9-fluoro-7-(1-methoxyethenyl)-11b-methyl-2,3,5,11-tetrahydro-1H-indolizino[8,7-b]indol-6-one?
The IUPAC name of (11bR)-9-fluoro-7-(1-methoxyethenyl)-11b-methyl-2,3,5,11-tetrahydro-1H-indolizino[8,7-b]indol-6-one (CID 138725230) is (11bR)-9-fluoro-7-(1-methoxyethenyl)-11b-methyl-2,3,5,11-tetrahydro-1H-indolizino[8,7-b]indol-6-one.
What is the SMILES notation for (11bR)-9-fluoro-7-(1-methoxyethenyl)-11b-methyl-2,3,5,11-tetrahydro-1H-indolizino[8,7-b]indol-6-one?
The canonical SMILES for (11bR)-9-fluoro-7-(1-methoxyethenyl)-11b-methyl-2,3,5,11-tetrahydro-1H-indolizino[8,7-b]indol-6-one is C=C(OC)c1cc(F)cc2[nH]c3c(c12)C(=O)CN1CCC[C@]31C.
What is the InChIKey of (11bR)-9-fluoro-7-(1-methoxyethenyl)-11b-methyl-2,3,5,11-tetrahydro-1H-indolizino[8,7-b]indol-6-one?
The InChIKey is KFEBXWMZXUQCEZ-GOSISDBHSA-N. The full InChI is InChI=1S/C18H19FN2O2/c1-10(23-3)12-7-11(19)8-13-15(12)16-14(22)9-21-6-4-5-18(21,2)17(16)20-13/h7-8,20H,1,4-6,9H2,2-3H3/t18-/m1/s1.
What are the key properties of (11bR)-9-fluoro-7-(1-methoxyethenyl)-11b-methyl-2,3,5,11-tetrahydro-1H-indolizino[8,7-b]indol-6-one?
(11bR)-9-fluoro-7-(1-methoxyethenyl)-11b-methyl-2,3,5,11-tetrahydro-1H-indolizino[8,7-b]indol-6-one has a molecular weight of 314.36 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (11bR)-9-fluoro-7-(1-methoxyethenyl)-11b-methyl-2,3,5,11-tetrahydro-1H-indolizino[8,7-b]indol-6-one is sourced from PubChem (CID 138725230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).