1-(7-ethyl-1H-indol-3-yl)octan-1-one

C18H25NO — CID 43339303

IUPAC1-(7-ethyl-1H-indol-3-yl)octan-1-one
SMILESCCCCCCCC(=O)c1c[nH]c2c(CC)cccc12
InChIInChI=1S/C18H25NO/c1-3-5-6-7-8-12-17(20)16-13-19-18-14(4-2)10-9-11-15(16)18/h9-11,13,19H,3-8,12H2,1-2H3
InChIKeyIZBCBAJMKJSXCG-UHFFFAOYSA-N
MW271.40 g/mol
LogP5.27
Rot. Bonds8

About 1-(7-ethyl-1H-indol-3-yl)octan-1-one

1-(7-ethyl-1H-indol-3-yl)octan-1-one (PubChem CID 43339303) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is 1-(7-ethyl-1H-indol-3-yl)octan-1-one.

Molecular Properties

Compound Name1-(7-ethyl-1H-indol-3-yl)octan-1-one
PubChem CID43339303
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC Name1-(7-ethyl-1H-indol-3-yl)octan-1-one
SMILESCCCCCCCC(=O)c1c[nH]c2c(CC)cccc12
InChIInChI=1S/C18H25NO/c1-3-5-6-7-8-12-17(20)16-13-19-18-14(4-2)10-9-11-15(16)18/h9-11,13,19H,3-8,12H2,1-2H3
InChIKeyIZBCBAJMKJSXCG-UHFFFAOYSA-N
XLogP5.27
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500271.40
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(7-ethyl-1H-indol-3-yl)octan-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 1-(7-ethyl-1H-indol-3-yl)octan-1-one?
The IUPAC name of 1-(7-ethyl-1H-indol-3-yl)octan-1-one (CID 43339303) is 1-(7-ethyl-1H-indol-3-yl)octan-1-one.
What is the SMILES notation for 1-(7-ethyl-1H-indol-3-yl)octan-1-one?
The canonical SMILES for 1-(7-ethyl-1H-indol-3-yl)octan-1-one is CCCCCCCC(=O)c1c[nH]c2c(CC)cccc12.
What is the InChIKey of 1-(7-ethyl-1H-indol-3-yl)octan-1-one?
The InChIKey is IZBCBAJMKJSXCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO/c1-3-5-6-7-8-12-17(20)16-13-19-18-14(4-2)10-9-11-15(16)18/h9-11,13,19H,3-8,12H2,1-2H3.
What are the key properties of 1-(7-ethyl-1H-indol-3-yl)octan-1-one?
1-(7-ethyl-1H-indol-3-yl)octan-1-one has a molecular weight of 271.40 g/mol, XLogP of 5.27, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-ethyl-1H-indol-3-yl)octan-1-one is sourced from PubChem (CID 43339303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).