2-methyl-3-(5,6,7,8-tetrahydroquinolin-8-yl)cyclopentan-1-one

C15H19NO — CID 79739041

IUPAC2-methyl-3-(5,6,7,8-tetrahydroquinolin-8-yl)cyclopentan-1-one
SMILESCC1C(=O)CCC1C1CCCc2cccnc21
InChIInChI=1S/C15H19NO/c1-10-12(7-8-14(10)17)13-6-2-4-11-5-3-9-16-15(11)13/h3,5,9-10,12-13H,2,4,6-8H2,1H3
InChIKeySBMFATXELTZQKG-UHFFFAOYSA-N
MW229.32 g/mol
LogP3.12
Rot. Bonds1

About 2-methyl-3-(5,6,7,8-tetrahydroquinolin-8-yl)cyclopentan-1-one

2-methyl-3-(5,6,7,8-tetrahydroquinolin-8-yl)cyclopentan-1-one (PubChem CID 79739041) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 2-methyl-3-(5,6,7,8-tetrahydroquinolin-8-yl)cyclopentan-1-one.

Molecular Properties

Compound Name2-methyl-3-(5,6,7,8-tetrahydroquinolin-8-yl)cyclopentan-1-one
PubChem CID79739041
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name2-methyl-3-(5,6,7,8-tetrahydroquinolin-8-yl)cyclopentan-1-one
SMILESCC1C(=O)CCC1C1CCCc2cccnc21
InChIInChI=1S/C15H19NO/c1-10-12(7-8-14(10)17)13-6-2-4-11-5-3-9-16-15(11)13/h3,5,9-10,12-13H,2,4,6-8H2,1H3
InChIKeySBMFATXELTZQKG-UHFFFAOYSA-N
XLogP3.12
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5,6,7,8-tetrahydroquinolin-8-yl)cyclohexane-1-carboxylic acid
CID 81008870
(8S)-8-fluoro-5,6,7,8-tetrahydroquinoline
CID 164583093
(8R)-8-fluoro-5,6,7,8-tetrahydroquinoline
CID 162400504
2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)cyclopentane-1-carboxylic acid
CID 81008553
trimethyl(5,6,7,8-tetrahydroquinolin-8-yl)silane
CID 130535889
(8S)-5,6,7,8-tetrahydroquinolin-8-ol
CID 11480532
(8S)-5,6,7,8-tetrahydroquinolin-8-amine
CID 12031071
(8R)-8-propan-2-yl-5,6,7,8-tetrahydroquinoline
CID 58752937
N-fluoro-5,6,7,8-tetrahydroquinolin-8-amine
CID 145471491
(8S)-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 58985331
7-(2-bromocyclopentyl)-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 79748412
N-propyl-3-(5,6,7,8-tetrahydroquinolin-8-yl)cyclohexan-1-amine
CID 79737789

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(5,6,7,8-tetrahydroquinolin-8-yl)cyclopentan-1-one?
The IUPAC name of 2-methyl-3-(5,6,7,8-tetrahydroquinolin-8-yl)cyclopentan-1-one (CID 79739041) is 2-methyl-3-(5,6,7,8-tetrahydroquinolin-8-yl)cyclopentan-1-one.
What is the SMILES notation for 2-methyl-3-(5,6,7,8-tetrahydroquinolin-8-yl)cyclopentan-1-one?
The canonical SMILES for 2-methyl-3-(5,6,7,8-tetrahydroquinolin-8-yl)cyclopentan-1-one is CC1C(=O)CCC1C1CCCc2cccnc21.
What is the InChIKey of 2-methyl-3-(5,6,7,8-tetrahydroquinolin-8-yl)cyclopentan-1-one?
The InChIKey is SBMFATXELTZQKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-10-12(7-8-14(10)17)13-6-2-4-11-5-3-9-16-15(11)13/h3,5,9-10,12-13H,2,4,6-8H2,1H3.
What are the key properties of 2-methyl-3-(5,6,7,8-tetrahydroquinolin-8-yl)cyclopentan-1-one?
2-methyl-3-(5,6,7,8-tetrahydroquinolin-8-yl)cyclopentan-1-one has a molecular weight of 229.32 g/mol, XLogP of 3.12, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(5,6,7,8-tetrahydroquinolin-8-yl)cyclopentan-1-one is sourced from PubChem (CID 79739041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).