1-(1,2,5,6,7,8-hexahydroquinolin-3-yl)ethanone

C11H15NO — CID 57204287

IUPAC1-(1,2,5,6,7,8-hexahydroquinolin-3-yl)ethanone
SMILESCC(=O)C1=CC2=C(CCCC2)NC1
InChIInChI=1S/C11H15NO/c1-8(13)10-6-9-4-2-3-5-11(9)12-7-10/h6,12H,2-5,7H2,1H3
InChIKeyVSWVGZRDEWNKBL-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.93
Rot. Bonds1

About 1-(1,2,5,6,7,8-hexahydroquinolin-3-yl)ethanone

1-(1,2,5,6,7,8-hexahydroquinolin-3-yl)ethanone (PubChem CID 57204287) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 1-(1,2,5,6,7,8-hexahydroquinolin-3-yl)ethanone.

Molecular Properties

Compound Name1-(1,2,5,6,7,8-hexahydroquinolin-3-yl)ethanone
PubChem CID57204287
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name1-(1,2,5,6,7,8-hexahydroquinolin-3-yl)ethanone
SMILESCC(=O)C1=CC2=C(CCCC2)NC1
InChIInChI=1S/C11H15NO/c1-8(13)10-6-9-4-2-3-5-11(9)12-7-10/h6,12H,2-5,7H2,1H3
InChIKeyVSWVGZRDEWNKBL-UHFFFAOYSA-N
XLogP1.93
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(1,2,5,6,7,8-hexahydroquinolin-3-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-(1,2,5,6,7,8-hexahydroquinolin-3-yl)ethanone?
The IUPAC name of 1-(1,2,5,6,7,8-hexahydroquinolin-3-yl)ethanone (CID 57204287) is 1-(1,2,5,6,7,8-hexahydroquinolin-3-yl)ethanone.
What is the SMILES notation for 1-(1,2,5,6,7,8-hexahydroquinolin-3-yl)ethanone?
The canonical SMILES for 1-(1,2,5,6,7,8-hexahydroquinolin-3-yl)ethanone is CC(=O)C1=CC2=C(CCCC2)NC1.
What is the InChIKey of 1-(1,2,5,6,7,8-hexahydroquinolin-3-yl)ethanone?
The InChIKey is VSWVGZRDEWNKBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-8(13)10-6-9-4-2-3-5-11(9)12-7-10/h6,12H,2-5,7H2,1H3.
What are the key properties of 1-(1,2,5,6,7,8-hexahydroquinolin-3-yl)ethanone?
1-(1,2,5,6,7,8-hexahydroquinolin-3-yl)ethanone has a molecular weight of 177.25 g/mol, XLogP of 1.93, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,5,6,7,8-hexahydroquinolin-3-yl)ethanone is sourced from PubChem (CID 57204287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).