carbanide;dichloro(ethylidene)ruthenium;bis(4-pyrrolidin-1-ylpyridine)

C21H31Cl2N4Ru- — CID 23525100

IUPACcarbanide;dichloro(ethylidene)ruthenium;bis(4-pyrrolidin-1-ylpyridine)
SMILESCC=[Ru](Cl)Cl.[CH3-].c1cc(N2CCCC2)ccn1.c1cc(N2CCCC2)ccn1
InChIInChI=1S/2C9H12N2.C2H4.CH3.2ClH.Ru/c2*1-2-8-11(7-1)9-3-5-10-6-4-9;1-2;;;;/h2*3-6H,1-2,7-8H2;1H,2H3;1H3;2*1H;/q;;;-1;;;+2/p-2
InChIKeyFPPFBERAPCYACO-UHFFFAOYSA-L
MW511.48 g/mol
LogP5.55
Rot. Bonds2

About carbanide;dichloro(ethylidene)ruthenium;bis(4-pyrrolidin-1-ylpyridine)

carbanide;dichloro(ethylidene)ruthenium;bis(4-pyrrolidin-1-ylpyridine) (PubChem CID 23525100) has the molecular formula C21H31Cl2N4Ru- and a molecular weight of 511.48 g/mol. Its IUPAC name is carbanide;dichloro(ethylidene)ruthenium;bis(4-pyrrolidin-1-ylpyridine).

Molecular Properties

Compound Namecarbanide;dichloro(ethylidene)ruthenium;bis(4-pyrrolidin-1-ylpyridine)
PubChem CID23525100
Molecular FormulaC21H31Cl2N4Ru-
Molecular Weight511.48 g/mol
Exact Mass511.10
IUPAC Namecarbanide;dichloro(ethylidene)ruthenium;bis(4-pyrrolidin-1-ylpyridine)
SMILESCC=[Ru](Cl)Cl.[CH3-].c1cc(N2CCCC2)ccn1.c1cc(N2CCCC2)ccn1
InChIInChI=1S/2C9H12N2.C2H4.CH3.2ClH.Ru/c2*1-2-8-11(7-1)9-3-5-10-6-4-9;1-2;;;;/h2*3-6H,1-2,7-8H2;1H,2H3;1H3;2*1H;/q;;;-1;;;+2/p-2
InChIKeyFPPFBERAPCYACO-UHFFFAOYSA-L
XLogP5.55
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.48
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-pyrrolidin-1-ylpyridine
CID 158456628
disilver;tetrakis(4-pyrrolidin-1-ylpyridine);diperchlorate
CID 139201601
2-methyl-4-piperidin-1-yl-6-(4-pyridin-4-ylpiperazin-1-yl)pyrimidine
CID 165433055
1-ethyl-4-pyridin-4-yl-1,4-diazepane
CID 121451794
1-pyridin-4-ylpiperazin-4-ium
CID 143123002
2-(4-pyridin-4-ylpiperazin-1-yl)-4-pyrrolidin-1-ylpyrimidine
CID 165432779
1,16-diazatricyclo[14.14.4.231,34]hexatriaconta-31,33,35-triene
CID 177496449
1-(2-chloro-4-pyridinyl)-4-pyridin-4-ylpiperazine
CID 133373099
1-pyridin-4-ylpiperidine-4-thiol
CID 153166689
1-[4-[1-(4-pyrrolidin-1-ylphenyl)prop-1-enyl]phenyl]pyrrolidine
CID 14343976
4-[4-(piperidin-1-ylmethyl)piperidin-1-yl]pyridine
CID 70759625
1-pentan-3-yl-4-pyridin-4-ylpiperazine
CID 20735179

Frequently Asked Questions

What is the IUPAC name of carbanide;dichloro(ethylidene)ruthenium;bis(4-pyrrolidin-1-ylpyridine)?
The IUPAC name of carbanide;dichloro(ethylidene)ruthenium;bis(4-pyrrolidin-1-ylpyridine) (CID 23525100) is carbanide;dichloro(ethylidene)ruthenium;bis(4-pyrrolidin-1-ylpyridine).
What is the SMILES notation for carbanide;dichloro(ethylidene)ruthenium;bis(4-pyrrolidin-1-ylpyridine)?
The canonical SMILES for carbanide;dichloro(ethylidene)ruthenium;bis(4-pyrrolidin-1-ylpyridine) is CC=[Ru](Cl)Cl.[CH3-].c1cc(N2CCCC2)ccn1.c1cc(N2CCCC2)ccn1.
What is the InChIKey of carbanide;dichloro(ethylidene)ruthenium;bis(4-pyrrolidin-1-ylpyridine)?
The InChIKey is FPPFBERAPCYACO-UHFFFAOYSA-L. The full InChI is InChI=1S/2C9H12N2.C2H4.CH3.2ClH.Ru/c2*1-2-8-11(7-1)9-3-5-10-6-4-9;1-2;;;;/h2*3-6H,1-2,7-8H2;1H,2H3;1H3;2*1H;/q;;;-1;;;+2/p-2.
What are the key properties of carbanide;dichloro(ethylidene)ruthenium;bis(4-pyrrolidin-1-ylpyridine)?
carbanide;dichloro(ethylidene)ruthenium;bis(4-pyrrolidin-1-ylpyridine) has a molecular weight of 511.48 g/mol, XLogP of 5.55, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;dichloro(ethylidene)ruthenium;bis(4-pyrrolidin-1-ylpyridine) is sourced from PubChem (CID 23525100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).