(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-[(2S)-oxolan-2-yl]methanone

C16H17FN2O2 — CID 42534918

IUPAC(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-[(2S)-oxolan-2-yl]methanone
SMILESO=C([C@@H]1CCCO1)N1CCc2[nH]c3ccc(F)cc3c2C1
InChIInChI=1S/C16H17FN2O2/c17-10-3-4-13-11(8-10)12-9-19(6-5-14(12)18-13)16(20)15-2-1-7-21-15/h3-4,8,15,18H,1-2,5-7,9H2/t15-/m0/s1
InChIKeyAGCLUJHZSJHCOZ-HNNXBMFYSA-N
MW288.32 g/mol
LogP2.37
Rot. Bonds1

About (8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-[(2S)-oxolan-2-yl]methanone

(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-[(2S)-oxolan-2-yl]methanone (PubChem CID 42534918) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is (8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-[(2S)-oxolan-2-yl]methanone.

Molecular Properties

Compound Name(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-[(2S)-oxolan-2-yl]methanone
PubChem CID42534918
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC Name(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-[(2S)-oxolan-2-yl]methanone
SMILESO=C([C@@H]1CCCO1)N1CCc2[nH]c3ccc(F)cc3c2C1
InChIInChI=1S/C16H17FN2O2/c17-10-3-4-13-11(8-10)12-9-19(6-5-14(12)18-13)16(20)15-2-1-7-21-15/h3-4,8,15,18H,1-2,5-7,9H2/t15-/m0/s1
InChIKeyAGCLUJHZSJHCOZ-HNNXBMFYSA-N
XLogP2.37
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 52.37
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 (8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-[(2S)-oxolan-2-yl]methanone?
The IUPAC name of (8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-[(2S)-oxolan-2-yl]methanone (CID 42534918) is (8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-[(2S)-oxolan-2-yl]methanone.
What is the SMILES notation for (8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-[(2S)-oxolan-2-yl]methanone?
The canonical SMILES for (8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-[(2S)-oxolan-2-yl]methanone is O=C([C@@H]1CCCO1)N1CCc2[nH]c3ccc(F)cc3c2C1.
What is the InChIKey of (8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-[(2S)-oxolan-2-yl]methanone?
The InChIKey is AGCLUJHZSJHCOZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c17-10-3-4-13-11(8-10)12-9-19(6-5-14(12)18-13)16(20)15-2-1-7-21-15/h3-4,8,15,18H,1-2,5-7,9H2/t15-/m0/s1.
What are the key properties of (8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-[(2S)-oxolan-2-yl]methanone?
(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-[(2S)-oxolan-2-yl]methanone has a molecular weight of 288.32 g/mol, XLogP of 2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-[(2S)-oxolan-2-yl]methanone is sourced from PubChem (CID 42534918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).