2,6,6-trimethyl-5,7-dihydroquinolin-8-one

C12H15NO — CID 123457653

IUPAC2,6,6-trimethyl-5,7-dihydroquinolin-8-one
SMILESCc1ccc2c(n1)C(=O)CC(C)(C)C2
InChIInChI=1S/C12H15NO/c1-8-4-5-9-6-12(2,3)7-10(14)11(9)13-8/h4-5H,6-7H2,1-3H3
InChIKeyDONLITYKBRENOO-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.55
Rot. Bonds

About 2,6,6-trimethyl-5,7-dihydroquinolin-8-one

2,6,6-trimethyl-5,7-dihydroquinolin-8-one (PubChem CID 123457653) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 2,6,6-trimethyl-5,7-dihydroquinolin-8-one.

Molecular Properties

Compound Name2,6,6-trimethyl-5,7-dihydroquinolin-8-one
PubChem CID123457653
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name2,6,6-trimethyl-5,7-dihydroquinolin-8-one
SMILESCc1ccc2c(n1)C(=O)CC(C)(C)C2
InChIInChI=1S/C12H15NO/c1-8-4-5-9-6-12(2,3)7-10(14)11(9)13-8/h4-5H,6-7H2,1-3H3
InChIKeyDONLITYKBRENOO-UHFFFAOYSA-N
XLogP2.55
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-dimethyl-2,4-dihydrophenazin-1-one
CID 12676417
7,7-dimethyl-2-(6-methyl-3-pyridinyl)-6,8-dihydroquinazolin-5-one
CID 104823206
CID 144763969
CID 144763969
2-methyl-7,8-dihydro-5H-1,7-naphthyridin-6-one
CID 130250553
6-fluoro-3,3-dimethyl-2,4-dihydronaphthalen-1-one
CID 138749776
6-chloro-3,3-dimethyl-2,4-dihydronaphthalen-1-one
CID 84621207
ethane;7-methyl-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 143189329
6,6-dimethyl-2-propan-2-yl-5,7-dihydro-1,3-benzoxazol-4-one
CID 96616658
7,7-dimethyl-2-(4-methyl-1,3-oxazol-2-yl)-6,8-dihydroquinolin-5-one
CID 71002635
3,3-dimethyl-2,4-dihydrotetracene-1,6,11-trione
CID 13130307
ethane;6-ethyl-3,3-dimethyl-2,4-dihydronaphthalen-1-one
CID 145183093
2,5,8,8-tetramethyl-7,9-dihydropyrazolo[1,5-a]quinazolin-6-one
CID 47001193

Frequently Asked Questions

What is the IUPAC name of 2,6,6-trimethyl-5,7-dihydroquinolin-8-one?
The IUPAC name of 2,6,6-trimethyl-5,7-dihydroquinolin-8-one (CID 123457653) is 2,6,6-trimethyl-5,7-dihydroquinolin-8-one.
What is the SMILES notation for 2,6,6-trimethyl-5,7-dihydroquinolin-8-one?
The canonical SMILES for 2,6,6-trimethyl-5,7-dihydroquinolin-8-one is Cc1ccc2c(n1)C(=O)CC(C)(C)C2.
What is the InChIKey of 2,6,6-trimethyl-5,7-dihydroquinolin-8-one?
The InChIKey is DONLITYKBRENOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-8-4-5-9-6-12(2,3)7-10(14)11(9)13-8/h4-5H,6-7H2,1-3H3.
What are the key properties of 2,6,6-trimethyl-5,7-dihydroquinolin-8-one?
2,6,6-trimethyl-5,7-dihydroquinolin-8-one has a molecular weight of 189.26 g/mol, XLogP of 2.55, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,6-trimethyl-5,7-dihydroquinolin-8-one is sourced from PubChem (CID 123457653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).