5,6,7,8-tetrahydro-2H-isoquinolin-1-one

C9H11NO — CID 19081118

IUPAC5,6,7,8-tetrahydro-2H-isoquinolin-1-one
SMILESO=c1[nH]ccc2c1CCCC2
InChIInChI=1S/C9H11NO/c11-9-8-4-2-1-3-7(8)5-6-10-9/h5-6H,1-4H2,(H,10,11)
InChIKeyBSSAYGWMFGXIPF-UHFFFAOYSA-N
MW149.19 g/mol
LogP1.25
Rot. Bonds

About 5,6,7,8-tetrahydro-2H-isoquinolin-1-one

5,6,7,8-tetrahydro-2H-isoquinolin-1-one (PubChem CID 19081118) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is 5,6,7,8-tetrahydro-2H-isoquinolin-1-one.

Molecular Properties

Compound Name5,6,7,8-tetrahydro-2H-isoquinolin-1-one
PubChem CID19081118
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name5,6,7,8-tetrahydro-2H-isoquinolin-1-one
SMILESO=c1[nH]ccc2c1CCCC2
InChIInChI=1S/C9H11NO/c11-9-8-4-2-1-3-7(8)5-6-10-9/h5-6H,1-4H2,(H,10,11)
InChIKeyBSSAYGWMFGXIPF-UHFFFAOYSA-N
XLogP1.25
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,6,7,8-tetrahydro-2H-isoquinolin-1-one?
The IUPAC name of 5,6,7,8-tetrahydro-2H-isoquinolin-1-one (CID 19081118) is 5,6,7,8-tetrahydro-2H-isoquinolin-1-one.
What is the SMILES notation for 5,6,7,8-tetrahydro-2H-isoquinolin-1-one?
The canonical SMILES for 5,6,7,8-tetrahydro-2H-isoquinolin-1-one is O=c1[nH]ccc2c1CCCC2.
What is the InChIKey of 5,6,7,8-tetrahydro-2H-isoquinolin-1-one?
The InChIKey is BSSAYGWMFGXIPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO/c11-9-8-4-2-1-3-7(8)5-6-10-9/h5-6H,1-4H2,(H,10,11).
What are the key properties of 5,6,7,8-tetrahydro-2H-isoquinolin-1-one?
5,6,7,8-tetrahydro-2H-isoquinolin-1-one has a molecular weight of 149.19 g/mol, XLogP of 1.25, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8-tetrahydro-2H-isoquinolin-1-one is sourced from PubChem (CID 19081118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).