1-amino-6,7-dihydro-5H-isoquinolin-8-one

C9H10N2O — CID 126696681

IUPAC1-amino-6,7-dihydro-5H-isoquinolin-8-one
SMILESNc1nccc2c1C(=O)CCC2
InChIInChI=1S/C9H10N2O/c10-9-8-6(4-5-11-9)2-1-3-7(8)12/h4-5H,1-3H2,(H2,10,11)
InChIKeyDRSDCXKMKLMBHF-UHFFFAOYSA-N
MW162.19 g/mol
LogP1.18
Rot. Bonds

About 1-amino-6,7-dihydro-5H-isoquinolin-8-one

1-amino-6,7-dihydro-5H-isoquinolin-8-one (PubChem CID 126696681) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is 1-amino-6,7-dihydro-5H-isoquinolin-8-one.

Molecular Properties

Compound Name1-amino-6,7-dihydro-5H-isoquinolin-8-one
PubChem CID126696681
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC Name1-amino-6,7-dihydro-5H-isoquinolin-8-one
SMILESNc1nccc2c1C(=O)CCC2
InChIInChI=1S/C9H10N2O/c10-9-8-6(4-5-11-9)2-1-3-7(8)12/h4-5H,1-3H2,(H2,10,11)
InChIKeyDRSDCXKMKLMBHF-UHFFFAOYSA-N
XLogP1.18
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-amino-6,7-dihydro-5H-isoquinolin-8-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-amino-6,7-dihydro-5H-isoquinolin-8-one?
The IUPAC name of 1-amino-6,7-dihydro-5H-isoquinolin-8-one (CID 126696681) is 1-amino-6,7-dihydro-5H-isoquinolin-8-one.
What is the SMILES notation for 1-amino-6,7-dihydro-5H-isoquinolin-8-one?
The canonical SMILES for 1-amino-6,7-dihydro-5H-isoquinolin-8-one is Nc1nccc2c1C(=O)CCC2.
What is the InChIKey of 1-amino-6,7-dihydro-5H-isoquinolin-8-one?
The InChIKey is DRSDCXKMKLMBHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O/c10-9-8-6(4-5-11-9)2-1-3-7(8)12/h4-5H,1-3H2,(H2,10,11).
What are the key properties of 1-amino-6,7-dihydro-5H-isoquinolin-8-one?
1-amino-6,7-dihydro-5H-isoquinolin-8-one has a molecular weight of 162.19 g/mol, XLogP of 1.18, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-6,7-dihydro-5H-isoquinolin-8-one is sourced from PubChem (CID 126696681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).