iridium;pyrrol-2-one

C4H3IrNO — CID 87556634

IUPACiridium;pyrrol-2-one
SMILESO=C1C=CC=N1.[Ir]
InChIInChI=1S/C4H3NO.Ir/c6-4-2-1-3-5-4;/h1-3H;
InChIKeyJNJJBXLFKOPVCE-UHFFFAOYSA-N
MW273.29 g/mol
LogP0.15
Rot. Bonds

About iridium;pyrrol-2-one

iridium;pyrrol-2-one (PubChem CID 87556634) has the molecular formula C4H3IrNO and a molecular weight of 273.29 g/mol. Its IUPAC name is iridium;pyrrol-2-one.

Molecular Properties

Compound Nameiridium;pyrrol-2-one
PubChem CID87556634
Molecular FormulaC4H3IrNO
Molecular Weight273.29 g/mol
Exact Mass273.98
IUPAC Nameiridium;pyrrol-2-one
SMILESO=C1C=CC=N1.[Ir]
InChIInChI=1S/C4H3NO.Ir/c6-4-2-1-3-5-4;/h1-3H;
InChIKeyJNJJBXLFKOPVCE-UHFFFAOYSA-N
XLogP0.15
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 50.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of iridium;pyrrol-2-one?
The IUPAC name of iridium;pyrrol-2-one (CID 87556634) is iridium;pyrrol-2-one.
What is the SMILES notation for iridium;pyrrol-2-one?
The canonical SMILES for iridium;pyrrol-2-one is O=C1C=CC=N1.[Ir].
What is the InChIKey of iridium;pyrrol-2-one?
The InChIKey is JNJJBXLFKOPVCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3NO.Ir/c6-4-2-1-3-5-4;/h1-3H;.
What are the key properties of iridium;pyrrol-2-one?
iridium;pyrrol-2-one has a molecular weight of 273.29 g/mol, XLogP of 0.15, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;pyrrol-2-one is sourced from PubChem (CID 87556634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).