2-cyclobutyl-1-(1,2,3,4-tetrahydroisoquinolin-4-yl)ethanone

C15H19NO — CID 116573329

IUPAC2-cyclobutyl-1-(1,2,3,4-tetrahydroisoquinolin-4-yl)ethanone
SMILESO=C(CC1CCC1)C1CNCc2ccccc21
InChIInChI=1S/C15H19NO/c17-15(8-11-4-3-5-11)14-10-16-9-12-6-1-2-7-13(12)14/h1-2,6-7,11,14,16H,3-5,8-10H2
InChIKeyGYDPNSIIAFRBIU-UHFFFAOYSA-N
MW229.32 g/mol
LogP2.63
Rot. Bonds3

About 2-cyclobutyl-1-(1,2,3,4-tetrahydroisoquinolin-4-yl)ethanone

2-cyclobutyl-1-(1,2,3,4-tetrahydroisoquinolin-4-yl)ethanone (PubChem CID 116573329) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 2-cyclobutyl-1-(1,2,3,4-tetrahydroisoquinolin-4-yl)ethanone.

Molecular Properties

Compound Name2-cyclobutyl-1-(1,2,3,4-tetrahydroisoquinolin-4-yl)ethanone
PubChem CID116573329
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name2-cyclobutyl-1-(1,2,3,4-tetrahydroisoquinolin-4-yl)ethanone
SMILESO=C(CC1CCC1)C1CNCc2ccccc21
InChIInChI=1S/C15H19NO/c17-15(8-11-4-3-5-11)14-10-16-9-12-6-1-2-7-13(12)14/h1-2,6-7,11,14,16H,3-5,8-10H2
InChIKeyGYDPNSIIAFRBIU-UHFFFAOYSA-N
XLogP2.63
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclobutylmethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65260937
1-(1,2,3,4-tetrahydroisoquinolin-4-yl)but-3-en-1-one
CID 116573282
2-cyclopropyl-1-(2,3-dihydro-1H-inden-1-yl)ethanone
CID 65407992
N,N-bis(cyclopropylmethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65262216
3-ethyl-1-(1,2,3,4-tetrahydroisoquinolin-4-yl)pentan-1-one
CID 116573420
N-(3-cyclopentylpropyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 106011603
2-(2,6-difluorophenyl)-1-(1,2,3,4-tetrahydroisoquinolin-4-yl)ethanone
CID 114935408
1-(1,2,3,4-tetrahydroisoquinolin-4-yl)hex-5-yn-1-one
CID 116573369
3-methyl-1-(1,2,3,4-tetrahydroisoquinolin-4-yl)pentan-1-one
CID 116573323
piperidin-1-yl(1,2,3,4-tetrahydroisoquinolin-4-yl)methanone
CID 65260359
3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl(1,2,3,4-tetrahydroisoquinolin-4-yl)methanone
CID 65262345
2-(3,4-dimethylphenyl)-1-(1,2,3,4-tetrahydroisoquinolin-4-yl)ethanone
CID 116573424

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-1-(1,2,3,4-tetrahydroisoquinolin-4-yl)ethanone?
The IUPAC name of 2-cyclobutyl-1-(1,2,3,4-tetrahydroisoquinolin-4-yl)ethanone (CID 116573329) is 2-cyclobutyl-1-(1,2,3,4-tetrahydroisoquinolin-4-yl)ethanone.
What is the SMILES notation for 2-cyclobutyl-1-(1,2,3,4-tetrahydroisoquinolin-4-yl)ethanone?
The canonical SMILES for 2-cyclobutyl-1-(1,2,3,4-tetrahydroisoquinolin-4-yl)ethanone is O=C(CC1CCC1)C1CNCc2ccccc21.
What is the InChIKey of 2-cyclobutyl-1-(1,2,3,4-tetrahydroisoquinolin-4-yl)ethanone?
The InChIKey is GYDPNSIIAFRBIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c17-15(8-11-4-3-5-11)14-10-16-9-12-6-1-2-7-13(12)14/h1-2,6-7,11,14,16H,3-5,8-10H2.
What are the key properties of 2-cyclobutyl-1-(1,2,3,4-tetrahydroisoquinolin-4-yl)ethanone?
2-cyclobutyl-1-(1,2,3,4-tetrahydroisoquinolin-4-yl)ethanone has a molecular weight of 229.32 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-1-(1,2,3,4-tetrahydroisoquinolin-4-yl)ethanone is sourced from PubChem (CID 116573329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).