cyclopentyl-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanone

C15H19NO — CID 68917458

IUPACcyclopentyl-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanone
SMILESO=C(C1CCCC1)[C@@H]1Cc2ccccc2CN1
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/t14-/m0/s1
InChIKeyYWBWNQBHODIJGJ-AWEZNQCLSA-N
MW229.32 g/mol
LogP2.46
Rot. Bonds2

About cyclopentyl-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanone

cyclopentyl-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanone (PubChem CID 68917458) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is cyclopentyl-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanone.

Molecular Properties

Compound Namecyclopentyl-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanone
PubChem CID68917458
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Namecyclopentyl-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanone
SMILESO=C(C1CCCC1)[C@@H]1Cc2ccccc2CN1
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/t14-/m0/s1
InChIKeyYWBWNQBHODIJGJ-AWEZNQCLSA-N
XLogP2.46
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 ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cyclohexyl(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone
CID 116549688
cyclobutyl(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone
CID 116549860
azane;1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
CID 175030383
1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 4962026
azocan-1-yl(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone
CID 43211891
azepan-1-yl(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone;hydrochloride
CID 119261624
cyclopentylmethyl (3S)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate
CID 104895732
N-[(1R,2R)-2-hydroxycyclohexyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 107221971
1-(1,2,3,4-tetrahydroisoquinolin-3-yl)but-3-yn-1-one
CID 116549661
1-(1,2,3,4-tetrahydroisoquinolin-3-yl)prop-2-en-1-one
CID 116549750
chloro 1,2,3,4-tetrahydroisoquinoline-3-carboxylate
CID 174797587
N-cyclohexyl-N-ethyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 24692970

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanone?
The IUPAC name of cyclopentyl-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanone (CID 68917458) is cyclopentyl-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanone.
What is the SMILES notation for cyclopentyl-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanone?
The canonical SMILES for cyclopentyl-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanone is O=C(C1CCCC1)[C@@H]1Cc2ccccc2CN1.
What is the InChIKey of cyclopentyl-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanone?
The InChIKey is YWBWNQBHODIJGJ-AWEZNQCLSA-N. 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/t14-/m0/s1.
What are the key properties of cyclopentyl-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanone?
cyclopentyl-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanone has a molecular weight of 229.32 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanone is sourced from PubChem (CID 68917458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).