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

C14H17NO — CID 116549860

IUPACcyclobutyl(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone
SMILESO=C(C1CCC1)C1Cc2ccccc2CN1
InChIInChI=1S/C14H17NO/c16-14(10-6-3-7-10)13-8-11-4-1-2-5-12(11)9-15-13/h1-2,4-5,10,13,15H,3,6-9H2
InChIKeyCQIYCKQHMDSFNQ-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.07
Rot. Bonds2

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

cyclobutyl(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone (PubChem CID 116549860) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is cyclobutyl(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone.

Molecular Properties

Compound Namecyclobutyl(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone
PubChem CID116549860
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Namecyclobutyl(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone
SMILESO=C(C1CCC1)C1Cc2ccccc2CN1
InChIInChI=1S/C14H17NO/c16-14(10-6-3-7-10)13-8-11-4-1-2-5-12(11)9-15-13/h1-2,4-5,10,13,15H,3,6-9H2
InChIKeyCQIYCKQHMDSFNQ-UHFFFAOYSA-N
XLogP2.07
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cyclopentyl-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanone
CID 68917458
cyclohexyl(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone
CID 116549688
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
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone
CID 81422561
azepan-1-yl(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone;hydrochloride
CID 119261624
1-(1,2,3,4-tetrahydroisoquinolin-3-yl)but-3-yn-1-one
CID 116549661
chloro 1,2,3,4-tetrahydroisoquinoline-3-carboxylate
CID 174797587
1-(1,2,3,4-tetrahydroisoquinolin-3-yl)prop-2-en-1-one
CID 116549750
N-cyclohexyl-N-ethyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 24692970
N-(2,3-dimethylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 43185707

Frequently Asked Questions

What is the IUPAC name of cyclobutyl(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone?
The IUPAC name of cyclobutyl(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone (CID 116549860) is cyclobutyl(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone.
What is the SMILES notation for cyclobutyl(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone?
The canonical SMILES for cyclobutyl(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone is O=C(C1CCC1)C1Cc2ccccc2CN1.
What is the InChIKey of cyclobutyl(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone?
The InChIKey is CQIYCKQHMDSFNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c16-14(10-6-3-7-10)13-8-11-4-1-2-5-12(11)9-15-13/h1-2,4-5,10,13,15H,3,6-9H2.
What are the key properties of cyclobutyl(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone?
cyclobutyl(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone has a molecular weight of 215.30 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone is sourced from PubChem (CID 116549860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).