6-(aminomethyl)-2H-isoquinolin-1-one

C10H10N2O — CID 97289952

IUPAC6-(aminomethyl)-2H-isoquinolin-1-one
SMILESNCc1ccc2c(=O)[nH]ccc2c1
InChIInChI=1S/C10H10N2O/c11-6-7-1-2-9-8(5-7)3-4-12-10(9)13/h1-5H,6,11H2,(H,12,13)
InChIKeyAVBSLSNMHQUKPP-UHFFFAOYSA-N
MW174.20 g/mol
LogP0.99
Rot. Bonds1

About 6-(aminomethyl)-2H-isoquinolin-1-one

6-(aminomethyl)-2H-isoquinolin-1-one (PubChem CID 97289952) has the molecular formula C10H10N2O and a molecular weight of 174.20 g/mol. Its IUPAC name is 6-(aminomethyl)-2H-isoquinolin-1-one.

Molecular Properties

Compound Name6-(aminomethyl)-2H-isoquinolin-1-one
PubChem CID97289952
Molecular FormulaC10H10N2O
Molecular Weight174.20 g/mol
Exact Mass174.08
IUPAC Name6-(aminomethyl)-2H-isoquinolin-1-one
SMILESNCc1ccc2c(=O)[nH]ccc2c1
InChIInChI=1S/C10H10N2O/c11-6-7-1-2-9-8(5-7)3-4-12-10(9)13/h1-5H,6,11H2,(H,12,13)
InChIKeyAVBSLSNMHQUKPP-UHFFFAOYSA-N
XLogP0.99
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1(2H)-Isoquinolinone
CID 10284
3,4-dihydro-5-methyl-1(2H)-isoquinolinone
CID 148140
N-Ethyl-3-toluamide
CID 93103
3-(Aminomethyl)-2-isobutyl-1-oxo-4-phenyl-1,2-dihydroisoquinoline-6-carboxamide
CID 9928326
6-(3-aminopropyl)benzo[h]isoquinolin-1(2H)-one
CID 44443516
N-(2-Methyl-benzyl)-benzamide
CID 789725
N-methyl-[1,1'-biphenyl]-2-carboxamide
CID 976170
N1,N4-Dimethyl-1,4-benzenedicarboxamide
CID 96246
7-Methylisoquinolin-1(2H)-one
CID 15693876
N-benzyl-2-methylbenzamide
CID 226952
7-Methyl-1,2,3,4-tetrahydroisoquinolin-1-one
CID 15507355
N-Methyl-p-toluamide
CID 140377

Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-2H-isoquinolin-1-one?
The IUPAC name of 6-(aminomethyl)-2H-isoquinolin-1-one (CID 97289952) is 6-(aminomethyl)-2H-isoquinolin-1-one.
What is the SMILES notation for 6-(aminomethyl)-2H-isoquinolin-1-one?
The canonical SMILES for 6-(aminomethyl)-2H-isoquinolin-1-one is NCc1ccc2c(=O)[nH]ccc2c1.
What is the InChIKey of 6-(aminomethyl)-2H-isoquinolin-1-one?
The InChIKey is AVBSLSNMHQUKPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O/c11-6-7-1-2-9-8(5-7)3-4-12-10(9)13/h1-5H,6,11H2,(H,12,13).
What are the key properties of 6-(aminomethyl)-2H-isoquinolin-1-one?
6-(aminomethyl)-2H-isoquinolin-1-one has a molecular weight of 174.20 g/mol, XLogP of 0.99, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-2H-isoquinolin-1-one is sourced from PubChem (CID 97289952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).