7-hydroxy-2-propan-2-yl-3,4-dihydroisoquinolin-1-one

C12H15NO2 — CID 84673185

IUPAC7-hydroxy-2-propan-2-yl-3,4-dihydroisoquinolin-1-one
SMILESCC(C)N1CCc2ccc(O)cc2C1=O
InChIInChI=1S/C12H15NO2/c1-8(2)13-6-5-9-3-4-10(14)7-11(9)12(13)15/h3-4,7-8,14H,5-6H2,1-2H3
InChIKeySDTQNFDPOSUZML-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.80
Rot. Bonds1

About 7-hydroxy-2-propan-2-yl-3,4-dihydroisoquinolin-1-one

7-hydroxy-2-propan-2-yl-3,4-dihydroisoquinolin-1-one (PubChem CID 84673185) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 7-hydroxy-2-propan-2-yl-3,4-dihydroisoquinolin-1-one.

Molecular Properties

Compound Name7-hydroxy-2-propan-2-yl-3,4-dihydroisoquinolin-1-one
PubChem CID84673185
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name7-hydroxy-2-propan-2-yl-3,4-dihydroisoquinolin-1-one
SMILESCC(C)N1CCc2ccc(O)cc2C1=O
InChIInChI=1S/C12H15NO2/c1-8(2)13-6-5-9-3-4-10(14)7-11(9)12(13)15/h3-4,7-8,14H,5-6H2,1-2H3
InChIKeySDTQNFDPOSUZML-UHFFFAOYSA-N
XLogP1.80
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 7-hydroxy-2-propan-2-yl-3,4-dihydroisoquinolin-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-propan-2-yl-2,3-dihydroindol-6-ol
CID 84732134
7-(1,5-dimethyl-2,4-dioxa-3-borabicyclo[3.1.0]hexan-3-yl)-2-propan-2-yl-3,4-dihydroisoquinolin-1-one
CID 145368772
6-propan-2-yl-4,5-dihydrothieno[2,3-c]pyridin-7-one
CID 130067236
ethane;7-hydroxy-3,4-dihydro-2H-naphthalen-1-one
CID 54451343
6-chloro-2-propan-2-yl-3H-isoindol-1-one
CID 126654239
6-(2-hydroxypropyl)-2-propan-2-yl-3H-isoindol-1-one
CID 117338410
6-ethyl-2-propan-2-yl-3H-isoindol-1-one
CID 71066779
7-(2-morpholin-4-ylethoxy)-2,6-di(propan-2-yl)-3,4-dihydroisoquinolin-1-one
CID 176746621
2-methyl-7-prop-1-en-2-yl-3,4-dihydroisoquinolin-1-one
CID 171522935
6-hydroxy-2-[(4-propan-2-ylcyclohexyl)methyl]-3H-isoindol-1-one
CID 129014130
2-propan-2-yl-1H-benzo[f]isoindol-3-one
CID 12844980
2-methyl-1-methylidene-4,5-dihydro-3H-2-benzazepin-8-ol
CID 143989127

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-2-propan-2-yl-3,4-dihydroisoquinolin-1-one?
The IUPAC name of 7-hydroxy-2-propan-2-yl-3,4-dihydroisoquinolin-1-one (CID 84673185) is 7-hydroxy-2-propan-2-yl-3,4-dihydroisoquinolin-1-one.
What is the SMILES notation for 7-hydroxy-2-propan-2-yl-3,4-dihydroisoquinolin-1-one?
The canonical SMILES for 7-hydroxy-2-propan-2-yl-3,4-dihydroisoquinolin-1-one is CC(C)N1CCc2ccc(O)cc2C1=O.
What is the InChIKey of 7-hydroxy-2-propan-2-yl-3,4-dihydroisoquinolin-1-one?
The InChIKey is SDTQNFDPOSUZML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-8(2)13-6-5-9-3-4-10(14)7-11(9)12(13)15/h3-4,7-8,14H,5-6H2,1-2H3.
What are the key properties of 7-hydroxy-2-propan-2-yl-3,4-dihydroisoquinolin-1-one?
7-hydroxy-2-propan-2-yl-3,4-dihydroisoquinolin-1-one has a molecular weight of 205.26 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-2-propan-2-yl-3,4-dihydroisoquinolin-1-one is sourced from PubChem (CID 84673185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).