9-fluoro-3,4,6,7,12,12b-hexahydro-1H-indolo[2,3-a]quinolizin-2-one

C15H15FN2O — CID 101098380

IUPAC9-fluoro-3,4,6,7,12,12b-hexahydro-1H-indolo[2,3-a]quinolizin-2-one
SMILESO=C1CCN2CCc3c([nH]c4ccc(F)cc34)C2C1
InChIInChI=1S/C15H15FN2O/c16-9-1-2-13-12(7-9)11-4-6-18-5-3-10(19)8-14(18)15(11)17-13/h1-2,7,14,17H,3-6,8H2
InChIKeyTUJSFCJYRZVWIY-UHFFFAOYSA-N
MW258.30 g/mol
LogP2.57
Rot. Bonds

About 9-fluoro-3,4,6,7,12,12b-hexahydro-1H-indolo[2,3-a]quinolizin-2-one

9-fluoro-3,4,6,7,12,12b-hexahydro-1H-indolo[2,3-a]quinolizin-2-one (PubChem CID 101098380) has the molecular formula C15H15FN2O and a molecular weight of 258.30 g/mol. Its IUPAC name is 9-fluoro-3,4,6,7,12,12b-hexahydro-1H-indolo[2,3-a]quinolizin-2-one.

Molecular Properties

Compound Name9-fluoro-3,4,6,7,12,12b-hexahydro-1H-indolo[2,3-a]quinolizin-2-one
PubChem CID101098380
Molecular FormulaC15H15FN2O
Molecular Weight258.30 g/mol
Exact Mass258.12
IUPAC Name9-fluoro-3,4,6,7,12,12b-hexahydro-1H-indolo[2,3-a]quinolizin-2-one
SMILESO=C1CCN2CCc3c([nH]c4ccc(F)cc34)C2C1
InChIInChI=1S/C15H15FN2O/c16-9-1-2-13-12(7-9)11-4-6-18-5-3-10(19)8-14(18)15(11)17-13/h1-2,7,14,17H,3-6,8H2
InChIKeyTUJSFCJYRZVWIY-UHFFFAOYSA-N
XLogP2.57
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-fluoro-3,4,6,7,12,12b-hexahydro-1H-indolo[2,3-a]quinolizin-2-one?
The IUPAC name of 9-fluoro-3,4,6,7,12,12b-hexahydro-1H-indolo[2,3-a]quinolizin-2-one (CID 101098380) is 9-fluoro-3,4,6,7,12,12b-hexahydro-1H-indolo[2,3-a]quinolizin-2-one.
What is the SMILES notation for 9-fluoro-3,4,6,7,12,12b-hexahydro-1H-indolo[2,3-a]quinolizin-2-one?
The canonical SMILES for 9-fluoro-3,4,6,7,12,12b-hexahydro-1H-indolo[2,3-a]quinolizin-2-one is O=C1CCN2CCc3c([nH]c4ccc(F)cc34)C2C1.
What is the InChIKey of 9-fluoro-3,4,6,7,12,12b-hexahydro-1H-indolo[2,3-a]quinolizin-2-one?
The InChIKey is TUJSFCJYRZVWIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O/c16-9-1-2-13-12(7-9)11-4-6-18-5-3-10(19)8-14(18)15(11)17-13/h1-2,7,14,17H,3-6,8H2.
What are the key properties of 9-fluoro-3,4,6,7,12,12b-hexahydro-1H-indolo[2,3-a]quinolizin-2-one?
9-fluoro-3,4,6,7,12,12b-hexahydro-1H-indolo[2,3-a]quinolizin-2-one has a molecular weight of 258.30 g/mol, XLogP of 2.57, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-fluoro-3,4,6,7,12,12b-hexahydro-1H-indolo[2,3-a]quinolizin-2-one is sourced from PubChem (CID 101098380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).