5,5-dimethyl-6,7-dihydroisoquinolin-8-one

C11H13NO — CID 12648560

IUPAC5,5-dimethyl-6,7-dihydroisoquinolin-8-one
SMILESCC1(C)CCC(=O)c2cnccc21
InChIInChI=1S/C11H13NO/c1-11(2)5-3-10(13)8-7-12-6-4-9(8)11/h4,6-7H,3,5H2,1-2H3
InChIKeyMHYMYKOEUYRZOB-UHFFFAOYSA-N
MW175.23 g/mol
LogP2.34
Rot. Bonds

About 5,5-dimethyl-6,7-dihydroisoquinolin-8-one

5,5-dimethyl-6,7-dihydroisoquinolin-8-one (PubChem CID 12648560) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 5,5-dimethyl-6,7-dihydroisoquinolin-8-one.

Molecular Properties

Compound Name5,5-dimethyl-6,7-dihydroisoquinolin-8-one
PubChem CID12648560
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name5,5-dimethyl-6,7-dihydroisoquinolin-8-one
SMILESCC1(C)CCC(=O)c2cnccc21
InChIInChI=1S/C11H13NO/c1-11(2)5-3-10(13)8-7-12-6-4-9(8)11/h4,6-7H,3,5H2,1-2H3
InChIKeyMHYMYKOEUYRZOB-UHFFFAOYSA-N
XLogP2.34
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,4-dimethyl-7-sulfanyl-2,3-dihydronaphthalen-1-one
CID 19034432
ethane;4,4,6-trimethyl-2,3-dihydronaphthalen-1-one
CID 142087326
N-(5,5-dimethyl-8-oxo-6,7-dihydronaphthalen-2-yl)formamide
CID 22373951
1-hydroxy-1-methylspiro[cyclohexane-4,1'-furo[3,4-c]pyridine]-3'-one
CID 23522807
5-iodo-5-methyl-6,7-dihydrocyclopenta[c]pyridine
CID 162518698
7-[hydroxy(methoxy)amino]-4,4-dimethyl-2,3-dihydronaphthalen-1-one
CID 118281442
3,3,5,5-tetramethyl-6,7-dihydro-2H-s-indacen-1-one
CID 165353647
3,3-dimethyl-2H-thieno[2,3-c]pyridine 1,1-dioxide
CID 21300229
3-methyl-3-(4-methyl-3-pyridinyl)cyclopentan-1-one
CID 116538479
(3,8,8-trimethyl-5-oxo-6,7-dihydronaphthalen-2-yl) hypoiodite
CID 143066066
9,9-dimethyl-2,3,7,8-tetrahydrobenzo[g][1]benzofuran-6-one
CID 86235994
7,8-dihydro-6H-isoquinolin-5-one;hydrochloride
CID 23157166

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-6,7-dihydroisoquinolin-8-one?
The IUPAC name of 5,5-dimethyl-6,7-dihydroisoquinolin-8-one (CID 12648560) is 5,5-dimethyl-6,7-dihydroisoquinolin-8-one.
What is the SMILES notation for 5,5-dimethyl-6,7-dihydroisoquinolin-8-one?
The canonical SMILES for 5,5-dimethyl-6,7-dihydroisoquinolin-8-one is CC1(C)CCC(=O)c2cnccc21.
What is the InChIKey of 5,5-dimethyl-6,7-dihydroisoquinolin-8-one?
The InChIKey is MHYMYKOEUYRZOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c1-11(2)5-3-10(13)8-7-12-6-4-9(8)11/h4,6-7H,3,5H2,1-2H3.
What are the key properties of 5,5-dimethyl-6,7-dihydroisoquinolin-8-one?
5,5-dimethyl-6,7-dihydroisoquinolin-8-one has a molecular weight of 175.23 g/mol, XLogP of 2.34, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-6,7-dihydroisoquinolin-8-one is sourced from PubChem (CID 12648560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).