3,10-dihydroimidazo[2,1-a]isoquinolin-10-id-2-one;iridium

C11H7IrN2O- — CID 140590877

IUPAC3,10-dihydroimidazo[2,1-a]isoquinolin-10-id-2-one;iridium
SMILESO=C1CN2C=Cc3ccc[c-]c3C2=N1.[Ir]
InChIInChI=1S/C11H7N2O.Ir/c14-10-7-13-6-5-8-3-1-2-4-9(8)11(13)12-10;/h1-3,5-6H,7H2;/q-1;
InChIKeyZLSYSWSGHYDDNW-UHFFFAOYSA-N
MW375.41 g/mol
LogP1.06
Rot. Bonds

About 3,10-dihydroimidazo[2,1-a]isoquinolin-10-id-2-one;iridium

3,10-dihydroimidazo[2,1-a]isoquinolin-10-id-2-one;iridium (PubChem CID 140590877) has the molecular formula C11H7IrN2O- and a molecular weight of 375.41 g/mol. Its IUPAC name is 3,10-dihydroimidazo[2,1-a]isoquinolin-10-id-2-one;iridium.

Molecular Properties

Compound Name3,10-dihydroimidazo[2,1-a]isoquinolin-10-id-2-one;iridium
PubChem CID140590877
Molecular FormulaC11H7IrN2O-
Molecular Weight375.41 g/mol
Exact Mass376.02
IUPAC Name3,10-dihydroimidazo[2,1-a]isoquinolin-10-id-2-one;iridium
SMILESO=C1CN2C=Cc3ccc[c-]c3C2=N1.[Ir]
InChIInChI=1S/C11H7N2O.Ir/c14-10-7-13-6-5-8-3-1-2-4-9(8)11(13)12-10;/h1-3,5-6H,7H2;/q-1;
InChIKeyZLSYSWSGHYDDNW-UHFFFAOYSA-N
XLogP1.06
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.41
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,10-dihydroimidazo[2,1-a]isoquinolin-10-id-2-one;iridium?
The IUPAC name of 3,10-dihydroimidazo[2,1-a]isoquinolin-10-id-2-one;iridium (CID 140590877) is 3,10-dihydroimidazo[2,1-a]isoquinolin-10-id-2-one;iridium.
What is the SMILES notation for 3,10-dihydroimidazo[2,1-a]isoquinolin-10-id-2-one;iridium?
The canonical SMILES for 3,10-dihydroimidazo[2,1-a]isoquinolin-10-id-2-one;iridium is O=C1CN2C=Cc3ccc[c-]c3C2=N1.[Ir].
What is the InChIKey of 3,10-dihydroimidazo[2,1-a]isoquinolin-10-id-2-one;iridium?
The InChIKey is ZLSYSWSGHYDDNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N2O.Ir/c14-10-7-13-6-5-8-3-1-2-4-9(8)11(13)12-10;/h1-3,5-6H,7H2;/q-1;.
What are the key properties of 3,10-dihydroimidazo[2,1-a]isoquinolin-10-id-2-one;iridium?
3,10-dihydroimidazo[2,1-a]isoquinolin-10-id-2-one;iridium has a molecular weight of 375.41 g/mol, XLogP of 1.06, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,10-dihydroimidazo[2,1-a]isoquinolin-10-id-2-one;iridium is sourced from PubChem (CID 140590877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).