[(1S,5S)-3-azabicyclo[3.1.0]hexan-1-yl]-(4-fluoro-2,3-dihydroindol-1-yl)methanone

C14H15FN2O — CID 155963838

IUPAC[(1S,5S)-3-azabicyclo[3.1.0]hexan-1-yl]-(4-fluoro-2,3-dihydroindol-1-yl)methanone
SMILESO=C(N1CCc2c(F)cccc21)[C@]12CNC[C@H]1C2
InChIInChI=1S/C14H15FN2O/c15-11-2-1-3-12-10(11)4-5-17(12)13(18)14-6-9(14)7-16-8-14/h1-3,9,16H,4-8H2/t9-,14-/m1/s1
InChIKeyASKBWZIYMNHZRJ-YMTOWFKASA-N
MW246.28 g/mol
LogP1.32
Rot. Bonds1

About [(1S,5S)-3-azabicyclo[3.1.0]hexan-1-yl]-(4-fluoro-2,3-dihydroindol-1-yl)methanone

[(1S,5S)-3-azabicyclo[3.1.0]hexan-1-yl]-(4-fluoro-2,3-dihydroindol-1-yl)methanone (PubChem CID 155963838) has the molecular formula C14H15FN2O and a molecular weight of 246.28 g/mol. Its IUPAC name is [(1S,5S)-3-azabicyclo[3.1.0]hexan-1-yl]-(4-fluoro-2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name[(1S,5S)-3-azabicyclo[3.1.0]hexan-1-yl]-(4-fluoro-2,3-dihydroindol-1-yl)methanone
PubChem CID155963838
Molecular FormulaC14H15FN2O
Molecular Weight246.28 g/mol
Exact Mass246.12
IUPAC Name[(1S,5S)-3-azabicyclo[3.1.0]hexan-1-yl]-(4-fluoro-2,3-dihydroindol-1-yl)methanone
SMILESO=C(N1CCc2c(F)cccc21)[C@]12CNC[C@H]1C2
InChIInChI=1S/C14H15FN2O/c15-11-2-1-3-12-10(11)4-5-17(12)13(18)14-6-9(14)7-16-8-14/h1-3,9,16H,4-8H2/t9-,14-/m1/s1
InChIKeyASKBWZIYMNHZRJ-YMTOWFKASA-N
XLogP1.32
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [(1S,5S)-3-azabicyclo[3.1.0]hexan-1-yl]-(4-fluoro-2,3-dihydroindol-1-yl)methanone 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 [(1S,5S)-3-azabicyclo[3.1.0]hexan-1-yl]-(4-fluoro-2,3-dihydroindol-1-yl)methanone?
The IUPAC name of [(1S,5S)-3-azabicyclo[3.1.0]hexan-1-yl]-(4-fluoro-2,3-dihydroindol-1-yl)methanone (CID 155963838) is [(1S,5S)-3-azabicyclo[3.1.0]hexan-1-yl]-(4-fluoro-2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for [(1S,5S)-3-azabicyclo[3.1.0]hexan-1-yl]-(4-fluoro-2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for [(1S,5S)-3-azabicyclo[3.1.0]hexan-1-yl]-(4-fluoro-2,3-dihydroindol-1-yl)methanone is O=C(N1CCc2c(F)cccc21)[C@]12CNC[C@H]1C2.
What is the InChIKey of [(1S,5S)-3-azabicyclo[3.1.0]hexan-1-yl]-(4-fluoro-2,3-dihydroindol-1-yl)methanone?
The InChIKey is ASKBWZIYMNHZRJ-YMTOWFKASA-N. The full InChI is InChI=1S/C14H15FN2O/c15-11-2-1-3-12-10(11)4-5-17(12)13(18)14-6-9(14)7-16-8-14/h1-3,9,16H,4-8H2/t9-,14-/m1/s1.
What are the key properties of [(1S,5S)-3-azabicyclo[3.1.0]hexan-1-yl]-(4-fluoro-2,3-dihydroindol-1-yl)methanone?
[(1S,5S)-3-azabicyclo[3.1.0]hexan-1-yl]-(4-fluoro-2,3-dihydroindol-1-yl)methanone has a molecular weight of 246.28 g/mol, XLogP of 1.32, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,5S)-3-azabicyclo[3.1.0]hexan-1-yl]-(4-fluoro-2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 155963838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).