1-(2-methyl-1,2,3,4-tetrahydroquinolin-3-yl)ethanone

C12H15NO — CID 15269713

IUPAC1-(2-methyl-1,2,3,4-tetrahydroquinolin-3-yl)ethanone
SMILESCC(=O)C1Cc2ccccc2NC1C
InChIInChI=1S/C12H15NO/c1-8-11(9(2)14)7-10-5-3-4-6-12(10)13-8/h3-6,8,11,13H,7H2,1-2H3
InChIKeyVOPYGCQGZOHYSA-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.25
Rot. Bonds1

About 1-(2-methyl-1,2,3,4-tetrahydroquinolin-3-yl)ethanone

1-(2-methyl-1,2,3,4-tetrahydroquinolin-3-yl)ethanone (PubChem CID 15269713) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 1-(2-methyl-1,2,3,4-tetrahydroquinolin-3-yl)ethanone.

Molecular Properties

Compound Name1-(2-methyl-1,2,3,4-tetrahydroquinolin-3-yl)ethanone
PubChem CID15269713
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name1-(2-methyl-1,2,3,4-tetrahydroquinolin-3-yl)ethanone
SMILESCC(=O)C1Cc2ccccc2NC1C
InChIInChI=1S/C12H15NO/c1-8-11(9(2)14)7-10-5-3-4-6-12(10)13-8/h3-6,8,11,13H,7H2,1-2H3
InChIKeyVOPYGCQGZOHYSA-UHFFFAOYSA-N
XLogP2.25
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N',N',2-trimethyl-1,2,3,4-tetrahydroquinoline-3-carbohydrazide
CID 83015584
(2S,3S)-2,3-dimethyl-1,2,3,4-tetrahydroquinoline
CID 102507922
N-(2,2-dimethylbutyl)-2-methyl-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 103461945
2-methyl-N-[(3-methylcyclopentyl)methyl]-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 107413528
N-(2,3-dihydro-1H-indol-2-yl)acetamide
CID 23387653
(2-methyl-1,2,3,4-tetrahydroquinolin-3-yl)methanol
CID 123241358
2-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106026291
bis(2,3-dihydro-1H-indol-2-yl)methanone
CID 174436301
2,3-dihydro-1H-indole-2-carboxylic acid;methanol
CID 174391428
formic acid;2-methyl-2,3-dihydro-1H-indole
CID 144722451
(2R)-2-methyl-2,3-dihydro-1H-indole;hydrochloride
CID 155819591
N,N-dimethyl-2,3-dihydro-1H-indole-2-carboxamide
CID 18184482

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-1,2,3,4-tetrahydroquinolin-3-yl)ethanone?
The IUPAC name of 1-(2-methyl-1,2,3,4-tetrahydroquinolin-3-yl)ethanone (CID 15269713) is 1-(2-methyl-1,2,3,4-tetrahydroquinolin-3-yl)ethanone.
What is the SMILES notation for 1-(2-methyl-1,2,3,4-tetrahydroquinolin-3-yl)ethanone?
The canonical SMILES for 1-(2-methyl-1,2,3,4-tetrahydroquinolin-3-yl)ethanone is CC(=O)C1Cc2ccccc2NC1C.
What is the InChIKey of 1-(2-methyl-1,2,3,4-tetrahydroquinolin-3-yl)ethanone?
The InChIKey is VOPYGCQGZOHYSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-8-11(9(2)14)7-10-5-3-4-6-12(10)13-8/h3-6,8,11,13H,7H2,1-2H3.
What are the key properties of 1-(2-methyl-1,2,3,4-tetrahydroquinolin-3-yl)ethanone?
1-(2-methyl-1,2,3,4-tetrahydroquinolin-3-yl)ethanone has a molecular weight of 189.26 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-1,2,3,4-tetrahydroquinolin-3-yl)ethanone is sourced from PubChem (CID 15269713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).