cyclopenta-1,3-diene;1-cyclopenta-2,4-dien-1-yl-N,N-dimethylmethanamine;ruthenium(2+)

C13H17NRu — CID 15807877

IUPACcyclopenta-1,3-diene;1-cyclopenta-2,4-dien-1-yl-N,N-dimethylmethanamine;ruthenium(2+)
SMILESCN(C)C[c-]1cccc1.[Ru+2].c1cc[cH-]c1
InChIInChI=1S/C8H12N.C5H5.Ru/c1-9(2)7-8-5-3-4-6-8;1-2-4-5-3-1;/h3-6H,7H2,1-2H3;1-5H;/q2*-1;+2
InChIKeySKINYTVMJHLTGY-UHFFFAOYSA-N
MW288.36 g/mol
LogP2.87
Rot. Bonds2

About cyclopenta-1,3-diene;1-cyclopenta-2,4-dien-1-yl-N,N-dimethylmethanamine;ruthenium(2+)

cyclopenta-1,3-diene;1-cyclopenta-2,4-dien-1-yl-N,N-dimethylmethanamine;ruthenium(2+) (PubChem CID 15807877) has the molecular formula C13H17NRu and a molecular weight of 288.36 g/mol. Its IUPAC name is cyclopenta-1,3-diene;1-cyclopenta-2,4-dien-1-yl-N,N-dimethylmethanamine;ruthenium(2+).

Molecular Properties

Compound Namecyclopenta-1,3-diene;1-cyclopenta-2,4-dien-1-yl-N,N-dimethylmethanamine;ruthenium(2+)
PubChem CID15807877
Molecular FormulaC13H17NRu
Molecular Weight288.36 g/mol
Exact Mass289.04
IUPAC Namecyclopenta-1,3-diene;1-cyclopenta-2,4-dien-1-yl-N,N-dimethylmethanamine;ruthenium(2+)
SMILESCN(C)C[c-]1cccc1.[Ru+2].c1cc[cH-]c1
InChIInChI=1S/C8H12N.C5H5.Ru/c1-9(2)7-8-5-3-4-6-8;1-2-4-5-3-1;/h3-6H,7H2,1-2H3;1-5H;/q2*-1;+2
InChIKeySKINYTVMJHLTGY-UHFFFAOYSA-N
XLogP2.87
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.36
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze cyclopenta-1,3-diene;1-cyclopenta-2,4-dien-1-yl-N,N-dimethylmethanamine;ruthenium(2+) 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 cyclopenta-1,3-diene;1-cyclopenta-2,4-dien-1-yl-N,N-dimethylmethanamine;ruthenium(2+)?
The IUPAC name of cyclopenta-1,3-diene;1-cyclopenta-2,4-dien-1-yl-N,N-dimethylmethanamine;ruthenium(2+) (CID 15807877) is cyclopenta-1,3-diene;1-cyclopenta-2,4-dien-1-yl-N,N-dimethylmethanamine;ruthenium(2+).
What is the SMILES notation for cyclopenta-1,3-diene;1-cyclopenta-2,4-dien-1-yl-N,N-dimethylmethanamine;ruthenium(2+)?
The canonical SMILES for cyclopenta-1,3-diene;1-cyclopenta-2,4-dien-1-yl-N,N-dimethylmethanamine;ruthenium(2+) is CN(C)C[c-]1cccc1.[Ru+2].c1cc[cH-]c1.
What is the InChIKey of cyclopenta-1,3-diene;1-cyclopenta-2,4-dien-1-yl-N,N-dimethylmethanamine;ruthenium(2+)?
The InChIKey is SKINYTVMJHLTGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N.C5H5.Ru/c1-9(2)7-8-5-3-4-6-8;1-2-4-5-3-1;/h3-6H,7H2,1-2H3;1-5H;/q2*-1;+2.
What are the key properties of cyclopenta-1,3-diene;1-cyclopenta-2,4-dien-1-yl-N,N-dimethylmethanamine;ruthenium(2+)?
cyclopenta-1,3-diene;1-cyclopenta-2,4-dien-1-yl-N,N-dimethylmethanamine;ruthenium(2+) has a molecular weight of 288.36 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;1-cyclopenta-2,4-dien-1-yl-N,N-dimethylmethanamine;ruthenium(2+) is sourced from PubChem (CID 15807877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).