7-fluoro-6-methyl-2,3,4,5-tetrahydroazepino[4,3-b]indol-1-one

C13H13FN2O — CID 15712516

IUPAC7-fluoro-6-methyl-2,3,4,5-tetrahydroazepino[4,3-b]indol-1-one
SMILESCn1c2c(c3cccc(F)c31)C(=O)NCCC2
InChIInChI=1S/C13H13FN2O/c1-16-10-6-3-7-15-13(17)11(10)8-4-2-5-9(14)12(8)16/h2,4-5H,3,6-7H2,1H3,(H,15,17)
InChIKeyICFONBIFAJROKZ-UHFFFAOYSA-N
MW232.26 g/mol
LogP1.99
Rot. Bonds

About 7-fluoro-6-methyl-2,3,4,5-tetrahydroazepino[4,3-b]indol-1-one

7-fluoro-6-methyl-2,3,4,5-tetrahydroazepino[4,3-b]indol-1-one (PubChem CID 15712516) has the molecular formula C13H13FN2O and a molecular weight of 232.26 g/mol. Its IUPAC name is 7-fluoro-6-methyl-2,3,4,5-tetrahydroazepino[4,3-b]indol-1-one.

Molecular Properties

Compound Name7-fluoro-6-methyl-2,3,4,5-tetrahydroazepino[4,3-b]indol-1-one
PubChem CID15712516
Molecular FormulaC13H13FN2O
Molecular Weight232.26 g/mol
Exact Mass232.10
IUPAC Name7-fluoro-6-methyl-2,3,4,5-tetrahydroazepino[4,3-b]indol-1-one
SMILESCn1c2c(c3cccc(F)c31)C(=O)NCCC2
InChIInChI=1S/C13H13FN2O/c1-16-10-6-3-7-15-13(17)11(10)8-4-2-5-9(14)12(8)16/h2,4-5H,3,6-7H2,1H3,(H,15,17)
InChIKeyICFONBIFAJROKZ-UHFFFAOYSA-N
XLogP1.99
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 7-fluoro-6-methyl-2,3,4,5-tetrahydroazepino[4,3-b]indol-1-one 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 7-fluoro-6-methyl-2,3,4,5-tetrahydroazepino[4,3-b]indol-1-one?
The IUPAC name of 7-fluoro-6-methyl-2,3,4,5-tetrahydroazepino[4,3-b]indol-1-one (CID 15712516) is 7-fluoro-6-methyl-2,3,4,5-tetrahydroazepino[4,3-b]indol-1-one.
What is the SMILES notation for 7-fluoro-6-methyl-2,3,4,5-tetrahydroazepino[4,3-b]indol-1-one?
The canonical SMILES for 7-fluoro-6-methyl-2,3,4,5-tetrahydroazepino[4,3-b]indol-1-one is Cn1c2c(c3cccc(F)c31)C(=O)NCCC2.
What is the InChIKey of 7-fluoro-6-methyl-2,3,4,5-tetrahydroazepino[4,3-b]indol-1-one?
The InChIKey is ICFONBIFAJROKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O/c1-16-10-6-3-7-15-13(17)11(10)8-4-2-5-9(14)12(8)16/h2,4-5H,3,6-7H2,1H3,(H,15,17).
What are the key properties of 7-fluoro-6-methyl-2,3,4,5-tetrahydroazepino[4,3-b]indol-1-one?
7-fluoro-6-methyl-2,3,4,5-tetrahydroazepino[4,3-b]indol-1-one has a molecular weight of 232.26 g/mol, XLogP of 1.99, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-6-methyl-2,3,4,5-tetrahydroazepino[4,3-b]indol-1-one is sourced from PubChem (CID 15712516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).