7,8,9,10-tetrahydro-3H-imidazo[2,1-a]isoquinolin-2-one

C11H12N2O — CID 58746149

IUPAC7,8,9,10-tetrahydro-3H-imidazo[2,1-a]isoquinolin-2-one
SMILESO=C1CN2C=CC3=C(CCCC3)C2=N1
InChIInChI=1S/C11H12N2O/c14-10-7-13-6-5-8-3-1-2-4-9(8)11(13)12-10/h5-6H,1-4,7H2
InChIKeyQOZOZSQCETYLQI-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.62
Rot. Bonds

About 7,8,9,10-tetrahydro-3H-imidazo[2,1-a]isoquinolin-2-one

7,8,9,10-tetrahydro-3H-imidazo[2,1-a]isoquinolin-2-one (PubChem CID 58746149) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 7,8,9,10-tetrahydro-3H-imidazo[2,1-a]isoquinolin-2-one.

Molecular Properties

Compound Name7,8,9,10-tetrahydro-3H-imidazo[2,1-a]isoquinolin-2-one
PubChem CID58746149
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name7,8,9,10-tetrahydro-3H-imidazo[2,1-a]isoquinolin-2-one
SMILESO=C1CN2C=CC3=C(CCCC3)C2=N1
InChIInChI=1S/C11H12N2O/c14-10-7-13-6-5-8-3-1-2-4-9(8)11(13)12-10/h5-6H,1-4,7H2
InChIKeyQOZOZSQCETYLQI-UHFFFAOYSA-N
XLogP1.62
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7,8,9,10-tetrahydro-3H-imidazo[2,1-a]isoquinolin-2-one?
The IUPAC name of 7,8,9,10-tetrahydro-3H-imidazo[2,1-a]isoquinolin-2-one (CID 58746149) is 7,8,9,10-tetrahydro-3H-imidazo[2,1-a]isoquinolin-2-one.
What is the SMILES notation for 7,8,9,10-tetrahydro-3H-imidazo[2,1-a]isoquinolin-2-one?
The canonical SMILES for 7,8,9,10-tetrahydro-3H-imidazo[2,1-a]isoquinolin-2-one is O=C1CN2C=CC3=C(CCCC3)C2=N1.
What is the InChIKey of 7,8,9,10-tetrahydro-3H-imidazo[2,1-a]isoquinolin-2-one?
The InChIKey is QOZOZSQCETYLQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c14-10-7-13-6-5-8-3-1-2-4-9(8)11(13)12-10/h5-6H,1-4,7H2.
What are the key properties of 7,8,9,10-tetrahydro-3H-imidazo[2,1-a]isoquinolin-2-one?
7,8,9,10-tetrahydro-3H-imidazo[2,1-a]isoquinolin-2-one has a molecular weight of 188.23 g/mol, XLogP of 1.62, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8,9,10-tetrahydro-3H-imidazo[2,1-a]isoquinolin-2-one is sourced from PubChem (CID 58746149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).