1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanone

C11H13NO — CID 42604452

IUPAC1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanone
SMILESCC(=O)C1CCCc2cccnc21
InChIInChI=1S/C11H13NO/c1-8(13)10-6-2-4-9-5-3-7-12-11(9)10/h3,5,7,10H,2,4,6H2,1H3
InChIKeyYCPXJTSSSPGZOE-UHFFFAOYSA-N
MW175.23 g/mol
LogP2.09
Rot. Bonds1

About 1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanone

1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanone (PubChem CID 42604452) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanone.

Molecular Properties

Compound Name1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanone
PubChem CID42604452
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanone
SMILESCC(=O)C1CCCc2cccnc21
InChIInChI=1S/C11H13NO/c1-8(13)10-6-2-4-9-5-3-7-12-11(9)10/h3,5,7,10H,2,4,6H2,1H3
InChIKeyYCPXJTSSSPGZOE-UHFFFAOYSA-N
XLogP2.09
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanone 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-(5,6,7,8-tetrahydroquinolin-8-yl)ethanone?
The IUPAC name of 1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanone (CID 42604452) is 1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanone.
What is the SMILES notation for 1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanone?
The canonical SMILES for 1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanone is CC(=O)C1CCCc2cccnc21.
What is the InChIKey of 1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanone?
The InChIKey is YCPXJTSSSPGZOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c1-8(13)10-6-2-4-9-5-3-7-12-11(9)10/h3,5,7,10H,2,4,6H2,1H3.
What are the key properties of 1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanone?
1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanone has a molecular weight of 175.23 g/mol, XLogP of 2.09, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanone is sourced from PubChem (CID 42604452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).