7-fluoro-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-one

C11H9FN2O — CID 84739792

IUPAC7-fluoro-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-one
SMILESO=C1NCCc2c1[nH]c1cc(F)ccc21
InChIInChI=1S/C11H9FN2O/c12-6-1-2-7-8-3-4-13-11(15)10(8)14-9(7)5-6/h1-2,5,14H,3-4H2,(H,13,15)
InChIKeyYJCWXCISDRFNII-UHFFFAOYSA-N
MW204.20 g/mol
LogP1.59
Rot. Bonds

About 7-fluoro-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-one

7-fluoro-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-one (PubChem CID 84739792) has the molecular formula C11H9FN2O and a molecular weight of 204.20 g/mol. Its IUPAC name is 7-fluoro-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-one.

Molecular Properties

Compound Name7-fluoro-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-one
PubChem CID84739792
Molecular FormulaC11H9FN2O
Molecular Weight204.20 g/mol
Exact Mass204.07
IUPAC Name7-fluoro-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-one
SMILESO=C1NCCc2c1[nH]c1cc(F)ccc21
InChIInChI=1S/C11H9FN2O/c12-6-1-2-7-8-3-4-13-11(15)10(8)14-9(7)5-6/h1-2,5,14H,3-4H2,(H,13,15)
InChIKeyYJCWXCISDRFNII-UHFFFAOYSA-N
XLogP1.59
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.20
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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 7-fluoro-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-one?
The IUPAC name of 7-fluoro-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-one (CID 84739792) is 7-fluoro-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-one.
What is the SMILES notation for 7-fluoro-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-one?
The canonical SMILES for 7-fluoro-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-one is O=C1NCCc2c1[nH]c1cc(F)ccc21.
What is the InChIKey of 7-fluoro-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-one?
The InChIKey is YJCWXCISDRFNII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O/c12-6-1-2-7-8-3-4-13-11(15)10(8)14-9(7)5-6/h1-2,5,14H,3-4H2,(H,13,15).
What are the key properties of 7-fluoro-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-one?
7-fluoro-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-one has a molecular weight of 204.20 g/mol, XLogP of 1.59, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-one is sourced from PubChem (CID 84739792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).