5-amino-3,3-dimethyl-2,4-dihydroisoquinolin-1-one

C11H14N2O — CID 134828373

IUPAC5-amino-3,3-dimethyl-2,4-dihydroisoquinolin-1-one
SMILESCC1(C)Cc2c(N)cccc2C(=O)N1
InChIInChI=1S/C11H14N2O/c1-11(2)6-8-7(10(14)13-11)4-3-5-9(8)12/h3-5H,6,12H2,1-2H3,(H,13,14)
InChIKeyGSKQIUOLIOAUOG-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.33
Rot. Bonds

About 5-amino-3,3-dimethyl-2,4-dihydroisoquinolin-1-one

5-amino-3,3-dimethyl-2,4-dihydroisoquinolin-1-one (PubChem CID 134828373) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 5-amino-3,3-dimethyl-2,4-dihydroisoquinolin-1-one.

Molecular Properties

Compound Name5-amino-3,3-dimethyl-2,4-dihydroisoquinolin-1-one
PubChem CID134828373
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name5-amino-3,3-dimethyl-2,4-dihydroisoquinolin-1-one
SMILESCC1(C)Cc2c(N)cccc2C(=O)N1
InChIInChI=1S/C11H14N2O/c1-11(2)6-8-7(10(14)13-11)4-3-5-9(8)12/h3-5H,6,12H2,1-2H3,(H,13,14)
InChIKeyGSKQIUOLIOAUOG-UHFFFAOYSA-N
XLogP1.33
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3,3-dimethyl-2,4-dihydroisoquinolin-1-one?
The IUPAC name of 5-amino-3,3-dimethyl-2,4-dihydroisoquinolin-1-one (CID 134828373) is 5-amino-3,3-dimethyl-2,4-dihydroisoquinolin-1-one.
What is the SMILES notation for 5-amino-3,3-dimethyl-2,4-dihydroisoquinolin-1-one?
The canonical SMILES for 5-amino-3,3-dimethyl-2,4-dihydroisoquinolin-1-one is CC1(C)Cc2c(N)cccc2C(=O)N1.
What is the InChIKey of 5-amino-3,3-dimethyl-2,4-dihydroisoquinolin-1-one?
The InChIKey is GSKQIUOLIOAUOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-11(2)6-8-7(10(14)13-11)4-3-5-9(8)12/h3-5H,6,12H2,1-2H3,(H,13,14).
What are the key properties of 5-amino-3,3-dimethyl-2,4-dihydroisoquinolin-1-one?
5-amino-3,3-dimethyl-2,4-dihydroisoquinolin-1-one has a molecular weight of 190.25 g/mol, XLogP of 1.33, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3,3-dimethyl-2,4-dihydroisoquinolin-1-one is sourced from PubChem (CID 134828373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).