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

C10H12N2O — CID 14171272

IUPAC5-amino-2-methyl-3,4-dihydroisoquinolin-1-one
SMILESCN1CCc2c(N)cccc2C1=O
InChIInChI=1S/C10H12N2O/c1-12-6-5-7-8(10(12)13)3-2-4-9(7)11/h2-4H,5-6,11H2,1H3
InChIKeyKZGROFOZYOFEFZ-UHFFFAOYSA-N
MW176.22 g/mol
LogP0.90
Rot. Bonds

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

5-amino-2-methyl-3,4-dihydroisoquinolin-1-one (PubChem CID 14171272) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 5-amino-2-methyl-3,4-dihydroisoquinolin-1-one.

Molecular Properties

Compound Name5-amino-2-methyl-3,4-dihydroisoquinolin-1-one
PubChem CID14171272
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name5-amino-2-methyl-3,4-dihydroisoquinolin-1-one
SMILESCN1CCc2c(N)cccc2C1=O
InChIInChI=1S/C10H12N2O/c1-12-6-5-7-8(10(12)13)3-2-4-9(7)11/h2-4H,5-6,11H2,1H3
InChIKeyKZGROFOZYOFEFZ-UHFFFAOYSA-N
XLogP0.90
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 50.90
H-Bond Donors ≤ 51
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-2-methyl-3,4-dihydroisoquinolin-1-one?
The IUPAC name of 5-amino-2-methyl-3,4-dihydroisoquinolin-1-one (CID 14171272) is 5-amino-2-methyl-3,4-dihydroisoquinolin-1-one.
What is the SMILES notation for 5-amino-2-methyl-3,4-dihydroisoquinolin-1-one?
The canonical SMILES for 5-amino-2-methyl-3,4-dihydroisoquinolin-1-one is CN1CCc2c(N)cccc2C1=O.
What is the InChIKey of 5-amino-2-methyl-3,4-dihydroisoquinolin-1-one?
The InChIKey is KZGROFOZYOFEFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c1-12-6-5-7-8(10(12)13)3-2-4-9(7)11/h2-4H,5-6,11H2,1H3.
What are the key properties of 5-amino-2-methyl-3,4-dihydroisoquinolin-1-one?
5-amino-2-methyl-3,4-dihydroisoquinolin-1-one has a molecular weight of 176.22 g/mol, XLogP of 0.90, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-methyl-3,4-dihydroisoquinolin-1-one is sourced from PubChem (CID 14171272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).