7-amino-8aH-isoquinolin-1-one

C9H8N2O — CID 71651027

IUPAC7-amino-8aH-isoquinolin-1-one
SMILESNC1=CC2C(=O)N=CC=C2C=C1
InChIInChI=1S/C9H8N2O/c10-7-2-1-6-3-4-11-9(12)8(6)5-7/h1-5,8H,10H2
InChIKeyACUMFMRVPVIIOV-UHFFFAOYSA-N
MW160.18 g/mol
LogP0.55
Rot. Bonds

About 7-amino-8aH-isoquinolin-1-one

7-amino-8aH-isoquinolin-1-one (PubChem CID 71651027) has the molecular formula C9H8N2O and a molecular weight of 160.18 g/mol. Its IUPAC name is 7-amino-8aH-isoquinolin-1-one.

Molecular Properties

Compound Name7-amino-8aH-isoquinolin-1-one
PubChem CID71651027
Molecular FormulaC9H8N2O
Molecular Weight160.18 g/mol
Exact Mass160.06
IUPAC Name7-amino-8aH-isoquinolin-1-one
SMILESNC1=CC2C(=O)N=CC=C2C=C1
InChIInChI=1S/C9H8N2O/c10-7-2-1-6-3-4-11-9(12)8(6)5-7/h1-5,8H,10H2
InChIKeyACUMFMRVPVIIOV-UHFFFAOYSA-N
XLogP0.55
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.18
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-(4-methylpiperidin-1-yl)-8aH-isoquinolin-1-one
CID 156594946
7-amino-1-oxo-8aH-isoquinoline-4-carboxylic acid
CID 138058829
7aH-thieno[2,3-c]pyridin-7-one
CID 76845842
(8aS)-1-oxo-8aH-isoquinoline-6-carboxylic acid
CID 129407549
4-amino-6-methylcyclohexa-2,4-dien-1-one
CID 150471908
3-bromo-3aH-thieno[3,2-c]pyridin-4-one
CID 73446382
3-(aminomethyl)-4-methyl-3H-pyridin-2-one;hydrochloride
CID 76847940
2,4-dichloro-4aH-1,6-naphthyridin-5-one
CID 178188823
2-morpholin-4-yl-4aH-pyrido[4,3-d]pyrimidin-5-one
CID 73374270
8aH-pyrido[4,3-e][1,2,4]triazin-8-one
CID 75088779
4-methyl-2-oxo-3H-pyridine-3-carboxylic acid
CID 85439143
2-bromo-2H-pyrazin-3-one
CID 69216351

Frequently Asked Questions

What is the IUPAC name of 7-amino-8aH-isoquinolin-1-one?
The IUPAC name of 7-amino-8aH-isoquinolin-1-one (CID 71651027) is 7-amino-8aH-isoquinolin-1-one.
What is the SMILES notation for 7-amino-8aH-isoquinolin-1-one?
The canonical SMILES for 7-amino-8aH-isoquinolin-1-one is NC1=CC2C(=O)N=CC=C2C=C1.
What is the InChIKey of 7-amino-8aH-isoquinolin-1-one?
The InChIKey is ACUMFMRVPVIIOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O/c10-7-2-1-6-3-4-11-9(12)8(6)5-7/h1-5,8H,10H2.
What are the key properties of 7-amino-8aH-isoquinolin-1-one?
7-amino-8aH-isoquinolin-1-one has a molecular weight of 160.18 g/mol, XLogP of 0.55, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-8aH-isoquinolin-1-one is sourced from PubChem (CID 71651027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).