ruthenium;2,3,4-triethyl-1H-pyrrole

C10H17NRu — CID 174581947

IUPACruthenium;2,3,4-triethyl-1H-pyrrole
SMILESCCc1c[nH]c(CC)c1CC.[Ru]
InChIInChI=1S/C10H17N.Ru/c1-4-8-7-11-10(6-3)9(8)5-2;/h7,11H,4-6H2,1-3H3;
InChIKeyZIKGQBBLMAJVOB-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.70
Rot. Bonds3

About ruthenium;2,3,4-triethyl-1H-pyrrole

ruthenium;2,3,4-triethyl-1H-pyrrole (PubChem CID 174581947) has the molecular formula C10H17NRu and a molecular weight of 252.32 g/mol. Its IUPAC name is ruthenium;2,3,4-triethyl-1H-pyrrole.

Molecular Properties

Compound Nameruthenium;2,3,4-triethyl-1H-pyrrole
PubChem CID174581947
Molecular FormulaC10H17NRu
Molecular Weight252.32 g/mol
Exact Mass253.04
IUPAC Nameruthenium;2,3,4-triethyl-1H-pyrrole
SMILESCCc1c[nH]c(CC)c1CC.[Ru]
InChIInChI=1S/C10H17N.Ru/c1-4-8-7-11-10(6-3)9(8)5-2;/h7,11H,4-6H2,1-3H3;
InChIKeyZIKGQBBLMAJVOB-UHFFFAOYSA-N
XLogP2.70
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Analyze ruthenium;2,3,4-triethyl-1H-pyrrole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ruthenium;2,3,4-triethyl-1H-pyrrole?
The IUPAC name of ruthenium;2,3,4-triethyl-1H-pyrrole (CID 174581947) is ruthenium;2,3,4-triethyl-1H-pyrrole.
What is the SMILES notation for ruthenium;2,3,4-triethyl-1H-pyrrole?
The canonical SMILES for ruthenium;2,3,4-triethyl-1H-pyrrole is CCc1c[nH]c(CC)c1CC.[Ru].
What is the InChIKey of ruthenium;2,3,4-triethyl-1H-pyrrole?
The InChIKey is ZIKGQBBLMAJVOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N.Ru/c1-4-8-7-11-10(6-3)9(8)5-2;/h7,11H,4-6H2,1-3H3;.
What are the key properties of ruthenium;2,3,4-triethyl-1H-pyrrole?
ruthenium;2,3,4-triethyl-1H-pyrrole has a molecular weight of 252.32 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ruthenium;2,3,4-triethyl-1H-pyrrole is sourced from PubChem (CID 174581947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).