1-(1,2,3,4-tetrahydroquinolin-5-yl)propan-1-one

C12H15NO — CID 57142307

IUPAC1-(1,2,3,4-tetrahydroquinolin-5-yl)propan-1-one
SMILESCCC(=O)c1cccc2c1CCCN2
InChIInChI=1S/C12H15NO/c1-2-12(14)10-5-3-7-11-9(10)6-4-8-13-11/h3,5,7,13H,2,4,6,8H2,1H3
InChIKeyVOGOJDMZXCAZHO-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.64
Rot. Bonds2

About 1-(1,2,3,4-tetrahydroquinolin-5-yl)propan-1-one

1-(1,2,3,4-tetrahydroquinolin-5-yl)propan-1-one (PubChem CID 57142307) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 1-(1,2,3,4-tetrahydroquinolin-5-yl)propan-1-one.

Molecular Properties

Compound Name1-(1,2,3,4-tetrahydroquinolin-5-yl)propan-1-one
PubChem CID57142307
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name1-(1,2,3,4-tetrahydroquinolin-5-yl)propan-1-one
SMILESCCC(=O)c1cccc2c1CCCN2
InChIInChI=1S/C12H15NO/c1-2-12(14)10-5-3-7-11-9(10)6-4-8-13-11/h3,5,7,13H,2,4,6,8H2,1H3
InChIKeyVOGOJDMZXCAZHO-UHFFFAOYSA-N
XLogP2.64
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(1,2,3,4-tetrahydroquinolin-5-yl)propan-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-(1,2,3,4-tetrahydroquinolin-5-yl)propan-1-one?
The IUPAC name of 1-(1,2,3,4-tetrahydroquinolin-5-yl)propan-1-one (CID 57142307) is 1-(1,2,3,4-tetrahydroquinolin-5-yl)propan-1-one.
What is the SMILES notation for 1-(1,2,3,4-tetrahydroquinolin-5-yl)propan-1-one?
The canonical SMILES for 1-(1,2,3,4-tetrahydroquinolin-5-yl)propan-1-one is CCC(=O)c1cccc2c1CCCN2.
What is the InChIKey of 1-(1,2,3,4-tetrahydroquinolin-5-yl)propan-1-one?
The InChIKey is VOGOJDMZXCAZHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-2-12(14)10-5-3-7-11-9(10)6-4-8-13-11/h3,5,7,13H,2,4,6,8H2,1H3.
What are the key properties of 1-(1,2,3,4-tetrahydroquinolin-5-yl)propan-1-one?
1-(1,2,3,4-tetrahydroquinolin-5-yl)propan-1-one has a molecular weight of 189.26 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,3,4-tetrahydroquinolin-5-yl)propan-1-one is sourced from PubChem (CID 57142307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).