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

C12H15NO — CID 5055591

IUPAC2,7,7-trimethyl-6,8-dihydroquinolin-5-one
SMILESCc1ccc2c(n1)CC(C)(C)CC2=O
InChIInChI=1S/C12H15NO/c1-8-4-5-9-10(13-8)6-12(2,3)7-11(9)14/h4-5H,6-7H2,1-3H3
InChIKeyNFYVZLSUTSXLEN-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.55
Rot. Bonds

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

2,7,7-trimethyl-6,8-dihydroquinolin-5-one (PubChem CID 5055591) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 2,7,7-trimethyl-6,8-dihydroquinolin-5-one.

Molecular Properties

Compound Name2,7,7-trimethyl-6,8-dihydroquinolin-5-one
PubChem CID5055591
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name2,7,7-trimethyl-6,8-dihydroquinolin-5-one
SMILESCc1ccc2c(n1)CC(C)(C)CC2=O
InChIInChI=1S/C12H15NO/c1-8-4-5-9-10(13-8)6-12(2,3)7-11(9)14/h4-5H,6-7H2,1-3H3
InChIKeyNFYVZLSUTSXLEN-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

3,5-Diacetyl-2,6-dimethylpyridine
CID 540145
6,6-dimethyl-2-phenylethynyl-7,8-dihydro-6H-quinolin-5-one
CID 16065021
1-(4-Amino-2-methylquinolin-3-yl)ethanone
CID 672297
5(6H)-Quinolinone, 7,8-dihydro-
CID 3016811
2-(Phenylethynyl)-7,8-dihydroquinolin-5(6H)-one
CID 11379626
3,3,6,6-Tetramethyl-3,4,6,7-tetrahydro-2H,5H-acridine-1,8-dione
CID 612113
9-Amino-3,3-dimethyl-3,4-dihydro-1(2H)-acridinone
CID 617614
1-(2,4,6-Trimethylpyridin-3-yl)ethan-1-one
CID 268124
1-(Quinolin-3-yl)ethan-1-one
CID 5325612
1,8(2H,5H)-Acridinedione, 3,4,6,7-tetrahydro-
CID 2728077
(2-Methyl-4-phenyl-3-quinolinyl)(phenyl)methanone
CID 1215171
3-(4-Bromophenyl)-1-(2-methyl-5,6,7,8-tetrahydro-3-quinolinyl)-2-propen-1-one
CID 5338376

Frequently Asked Questions

What is the IUPAC name of 2,7,7-trimethyl-6,8-dihydroquinolin-5-one?
The IUPAC name of 2,7,7-trimethyl-6,8-dihydroquinolin-5-one (CID 5055591) is 2,7,7-trimethyl-6,8-dihydroquinolin-5-one.
What is the SMILES notation for 2,7,7-trimethyl-6,8-dihydroquinolin-5-one?
The canonical SMILES for 2,7,7-trimethyl-6,8-dihydroquinolin-5-one is Cc1ccc2c(n1)CC(C)(C)CC2=O.
What is the InChIKey of 2,7,7-trimethyl-6,8-dihydroquinolin-5-one?
The InChIKey is NFYVZLSUTSXLEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-8-4-5-9-10(13-8)6-12(2,3)7-11(9)14/h4-5H,6-7H2,1-3H3.
What are the key properties of 2,7,7-trimethyl-6,8-dihydroquinolin-5-one?
2,7,7-trimethyl-6,8-dihydroquinolin-5-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 2,7,7-trimethyl-6,8-dihydroquinolin-5-one is sourced from PubChem (CID 5055591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).