cyclopentyl(1,2,3,4-tetrahydroisoquinolin-2-ium-3-yl)methanone

C15H20NO+ — CID 59078557

IUPACcyclopentyl(1,2,3,4-tetrahydroisoquinolin-2-ium-3-yl)methanone
SMILESO=C(C1CCCC1)C1Cc2ccccc2C[NH2+]1
InChIInChI=1S/C15H19NO/c17-15(11-5-1-2-6-11)14-9-12-7-3-4-8-13(12)10-16-14/h3-4,7-8,11,14,16H,1-2,5-6,9-10H2/p+1
InChIKeyYWBWNQBHODIJGJ-UHFFFAOYSA-O
MW230.33 g/mol
LogP1.43
Rot. Bonds2

About cyclopentyl(1,2,3,4-tetrahydroisoquinolin-2-ium-3-yl)methanone

cyclopentyl(1,2,3,4-tetrahydroisoquinolin-2-ium-3-yl)methanone (PubChem CID 59078557) has the molecular formula C15H20NO+ and a molecular weight of 230.33 g/mol. Its IUPAC name is cyclopentyl(1,2,3,4-tetrahydroisoquinolin-2-ium-3-yl)methanone.

Molecular Properties

Compound Namecyclopentyl(1,2,3,4-tetrahydroisoquinolin-2-ium-3-yl)methanone
PubChem CID59078557
Molecular FormulaC15H20NO+
Molecular Weight230.33 g/mol
Exact Mass230.15
IUPAC Namecyclopentyl(1,2,3,4-tetrahydroisoquinolin-2-ium-3-yl)methanone
SMILESO=C(C1CCCC1)C1Cc2ccccc2C[NH2+]1
InChIInChI=1S/C15H19NO/c17-15(11-5-1-2-6-11)14-9-12-7-3-4-8-13(12)10-16-14/h3-4,7-8,11,14,16H,1-2,5-6,9-10H2/p+1
InChIKeyYWBWNQBHODIJGJ-UHFFFAOYSA-O
XLogP1.43
TPSA33.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

cyclopentyl(1,2,3,4-tetrahydronaphthalen-2-yl)methanone
CID 65409165
cyclopentyl-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanone
CID 68917458
N-cyclopentyl-1-[(3S)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carbonyl]piperidine-4-carboxamide
CID 7554506
cyclohexyl(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone
CID 116549688
(3S)-N-[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide
CID 7583584
cyclobutyl(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone
CID 116549860
(4,4-difluorocyclohexyl)-(2,3-dihydro-1H-inden-2-yl)methanone
CID 106893040
(2R)-N-(furan-2-ylmethyl)-1-[(3S)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carbonyl]pyrrolidine-2-carboxamide
CID 7094974
(3S)-N-[(3,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide
CID 7094005
CID 174033948
CID 174033948
(3S)-N-[(2S,3R)-3-methyl-1-oxo-1-(propylamino)pentan-2-yl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide
CID 7632057
1-cyclopentyl-2-(1,3-dihydroisoindol-2-yl)ethanone
CID 104750643

Frequently Asked Questions

What is the IUPAC name of cyclopentyl(1,2,3,4-tetrahydroisoquinolin-2-ium-3-yl)methanone?
The IUPAC name of cyclopentyl(1,2,3,4-tetrahydroisoquinolin-2-ium-3-yl)methanone (CID 59078557) is cyclopentyl(1,2,3,4-tetrahydroisoquinolin-2-ium-3-yl)methanone.
What is the SMILES notation for cyclopentyl(1,2,3,4-tetrahydroisoquinolin-2-ium-3-yl)methanone?
The canonical SMILES for cyclopentyl(1,2,3,4-tetrahydroisoquinolin-2-ium-3-yl)methanone is O=C(C1CCCC1)C1Cc2ccccc2C[NH2+]1.
What is the InChIKey of cyclopentyl(1,2,3,4-tetrahydroisoquinolin-2-ium-3-yl)methanone?
The InChIKey is YWBWNQBHODIJGJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H19NO/c17-15(11-5-1-2-6-11)14-9-12-7-3-4-8-13(12)10-16-14/h3-4,7-8,11,14,16H,1-2,5-6,9-10H2/p+1.
What are the key properties of cyclopentyl(1,2,3,4-tetrahydroisoquinolin-2-ium-3-yl)methanone?
cyclopentyl(1,2,3,4-tetrahydroisoquinolin-2-ium-3-yl)methanone has a molecular weight of 230.33 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl(1,2,3,4-tetrahydroisoquinolin-2-ium-3-yl)methanone is sourced from PubChem (CID 59078557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).