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

C17H21NO — CID 106655114

IUPACcyclohepten-1-yl(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone
SMILESO=C(C1=CCCCCC1)C1Cc2ccccc2CN1
InChIInChI=1S/C17H21NO/c19-17(13-7-3-1-2-4-8-13)16-11-14-9-5-6-10-15(14)12-18-16/h5-7,9-10,16,18H,1-4,8,11-12H2
InChIKeyGJDIJDRRIOPFIP-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.16
Rot. Bonds2

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

cyclohepten-1-yl(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone (PubChem CID 106655114) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is cyclohepten-1-yl(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone.

Molecular Properties

Compound Namecyclohepten-1-yl(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone
PubChem CID106655114
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Namecyclohepten-1-yl(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone
SMILESO=C(C1=CCCCCC1)C1Cc2ccccc2CN1
InChIInChI=1S/C17H21NO/c19-17(13-7-3-1-2-4-8-13)16-11-14-9-5-6-10-15(14)12-18-16/h5-7,9-10,16,18H,1-4,8,11-12H2
InChIKeyGJDIJDRRIOPFIP-UHFFFAOYSA-N
XLogP3.16
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cyclohepten-1-yl(2,3-dihydro-1H-inden-2-yl)methanone
CID 106651930
cyclohexen-1-yl(2,3-dihydro-1H-indol-2-yl)methanone
CID 106655584
cycloocten-1-yl(pyrrolidin-2-yl)methanone
CID 106655084
cyclohepten-1-yl(3,4-dihydro-2H-chromen-3-yl)methanone
CID 106651928
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
azetidin-3-yl(cycloocten-1-yl)methanone
CID 106655454
cyclopentyl-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanone
CID 68917458
cyclobutyl(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone
CID 116549860
azepan-1-yl(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone;hydrochloride
CID 119261624

Frequently Asked Questions

What is the IUPAC name of cyclohepten-1-yl(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone?
The IUPAC name of cyclohepten-1-yl(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone (CID 106655114) is cyclohepten-1-yl(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone.
What is the SMILES notation for cyclohepten-1-yl(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone?
The canonical SMILES for cyclohepten-1-yl(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone is O=C(C1=CCCCCC1)C1Cc2ccccc2CN1.
What is the InChIKey of cyclohepten-1-yl(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone?
The InChIKey is GJDIJDRRIOPFIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c19-17(13-7-3-1-2-4-8-13)16-11-14-9-5-6-10-15(14)12-18-16/h5-7,9-10,16,18H,1-4,8,11-12H2.
What are the key properties of cyclohepten-1-yl(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone?
cyclohepten-1-yl(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone has a molecular weight of 255.36 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohepten-1-yl(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone is sourced from PubChem (CID 106655114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).