cyclopentyl(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone

C15H19NO — CID 116612426

IUPACcyclopentyl(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone
SMILESO=C(c1cccc2c1CCNC2)C1CCCC1
InChIInChI=1S/C15H19NO/c17-15(11-4-1-2-5-11)14-7-3-6-12-10-16-9-8-13(12)14/h3,6-7,11,16H,1-2,4-5,8-10H2
InChIKeyLDPKKKOVGDGVKD-UHFFFAOYSA-N
MW229.32 g/mol
LogP2.71
Rot. Bonds2

About cyclopentyl(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone

cyclopentyl(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone (PubChem CID 116612426) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is cyclopentyl(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone.

Molecular Properties

Compound Namecyclopentyl(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone
PubChem CID116612426
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Namecyclopentyl(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone
SMILESO=C(c1cccc2c1CCNC2)C1CCCC1
InChIInChI=1S/C15H19NO/c17-15(11-4-1-2-5-11)14-7-3-6-12-10-16-9-8-13(12)14/h3,6-7,11,16H,1-2,4-5,8-10H2
InChIKeyLDPKKKOVGDGVKD-UHFFFAOYSA-N
XLogP2.71
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cycloheptyl(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone
CID 116612626
(4-methylcyclohexyl)-(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone
CID 116612615
(3-methylcyclohexyl)-(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone
CID 116612513
N-cycloheptyl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104557993
N-[(1R,2R)-2-hydroxycyclohexyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 107222001
azepan-1-yl(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone
CID 104557845
1-(1,2,3,4-tetrahydroisoquinoline-5-carbonyl)piperidine-4-carboxamide
CID 104557882
N-(2-methylcyclopentyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558561
N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558759
N-(cyclopropylmethyl)-N-ethyl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558608
N-[[2-(hydroxymethyl)cyclopentyl]methyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558719
2-azabicyclo[2.2.1]heptan-2-yl(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone
CID 104558437

Frequently Asked Questions

What is the IUPAC name of cyclopentyl(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone?
The IUPAC name of cyclopentyl(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone (CID 116612426) is cyclopentyl(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone.
What is the SMILES notation for cyclopentyl(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone?
The canonical SMILES for cyclopentyl(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone is O=C(c1cccc2c1CCNC2)C1CCCC1.
What is the InChIKey of cyclopentyl(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone?
The InChIKey is LDPKKKOVGDGVKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c17-15(11-4-1-2-5-11)14-7-3-6-12-10-16-9-8-13(12)14/h3,6-7,11,16H,1-2,4-5,8-10H2.
What are the key properties of cyclopentyl(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone?
cyclopentyl(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone has a molecular weight of 229.32 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone is sourced from PubChem (CID 116612426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).