dichloro-[3-(dimethylamino)propylidene]ruthenium

C5H11Cl2NRu — CID 72635880

IUPACdichloro-[3-(dimethylamino)propylidene]ruthenium
SMILESCN(C)CCC=[Ru](Cl)Cl
InChIInChI=1S/C5H11N.2ClH.Ru/c1-4-5-6(2)3;;;/h1H,4-5H2,2-3H3;2*1H;/q;;;+2/p-2
InChIKeyIDOKJEJSXGCPQA-UHFFFAOYSA-L
MW257.13 g/mol
LogP1.67
Rot. Bonds3

About dichloro-[3-(dimethylamino)propylidene]ruthenium

dichloro-[3-(dimethylamino)propylidene]ruthenium (PubChem CID 72635880) has the molecular formula C5H11Cl2NRu and a molecular weight of 257.13 g/mol. Its IUPAC name is dichloro-[3-(dimethylamino)propylidene]ruthenium.

Molecular Properties

Compound Namedichloro-[3-(dimethylamino)propylidene]ruthenium
PubChem CID72635880
Molecular FormulaC5H11Cl2NRu
Molecular Weight257.13 g/mol
Exact Mass256.93
IUPAC Namedichloro-[3-(dimethylamino)propylidene]ruthenium
SMILESCN(C)CCC=[Ru](Cl)Cl
InChIInChI=1S/C5H11N.2ClH.Ru/c1-4-5-6(2)3;;;/h1H,4-5H2,2-3H3;2*1H;/q;;;+2/p-2
InChIKeyIDOKJEJSXGCPQA-UHFFFAOYSA-L
XLogP1.67
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.13
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of dichloro-[3-(dimethylamino)propylidene]ruthenium?
The IUPAC name of dichloro-[3-(dimethylamino)propylidene]ruthenium (CID 72635880) is dichloro-[3-(dimethylamino)propylidene]ruthenium.
What is the SMILES notation for dichloro-[3-(dimethylamino)propylidene]ruthenium?
The canonical SMILES for dichloro-[3-(dimethylamino)propylidene]ruthenium is CN(C)CCC=[Ru](Cl)Cl.
What is the InChIKey of dichloro-[3-(dimethylamino)propylidene]ruthenium?
The InChIKey is IDOKJEJSXGCPQA-UHFFFAOYSA-L. The full InChI is InChI=1S/C5H11N.2ClH.Ru/c1-4-5-6(2)3;;;/h1H,4-5H2,2-3H3;2*1H;/q;;;+2/p-2.
What are the key properties of dichloro-[3-(dimethylamino)propylidene]ruthenium?
dichloro-[3-(dimethylamino)propylidene]ruthenium has a molecular weight of 257.13 g/mol, XLogP of 1.67, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro-[3-(dimethylamino)propylidene]ruthenium is sourced from PubChem (CID 72635880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).