carbanide;1-carboxyethylazanide;chlororuthenium(2+)

C4H9ClNO2Ru — CID 59575984

IUPACcarbanide;1-carboxyethylazanide;chlororuthenium(2+)
SMILESCC([NH-])C(=O)O.Cl[Ru+2].[CH3-]
InChIInChI=1S/C3H6NO2.CH3.ClH.Ru/c1-2(4)3(5)6;;;/h2,4H,1H3,(H,5,6);1H3;1H;/q2*-1;;+3/p-1
InChIKeyUHJDGWIFIREECC-UHFFFAOYSA-M
MW239.64 g/mol
LogP1.65
Rot. Bonds1

About carbanide;1-carboxyethylazanide;chlororuthenium(2+)

carbanide;1-carboxyethylazanide;chlororuthenium(2+) (PubChem CID 59575984) has the molecular formula C4H9ClNO2Ru and a molecular weight of 239.64 g/mol. Its IUPAC name is carbanide;1-carboxyethylazanide;chlororuthenium(2+).

Molecular Properties

Compound Namecarbanide;1-carboxyethylazanide;chlororuthenium(2+)
PubChem CID59575984
Molecular FormulaC4H9ClNO2Ru
Molecular Weight239.64 g/mol
Exact Mass239.94
IUPAC Namecarbanide;1-carboxyethylazanide;chlororuthenium(2+)
SMILESCC([NH-])C(=O)O.Cl[Ru+2].[CH3-]
InChIInChI=1S/C3H6NO2.CH3.ClH.Ru/c1-2(4)3(5)6;;;/h2,4H,1H3,(H,5,6);1H3;1H;/q2*-1;;+3/p-1
InChIKeyUHJDGWIFIREECC-UHFFFAOYSA-M
XLogP1.65
TPSA61.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.64
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of carbanide;1-carboxyethylazanide;chlororuthenium(2+)?
The IUPAC name of carbanide;1-carboxyethylazanide;chlororuthenium(2+) (CID 59575984) is carbanide;1-carboxyethylazanide;chlororuthenium(2+).
What is the SMILES notation for carbanide;1-carboxyethylazanide;chlororuthenium(2+)?
The canonical SMILES for carbanide;1-carboxyethylazanide;chlororuthenium(2+) is CC([NH-])C(=O)O.Cl[Ru+2].[CH3-].
What is the InChIKey of carbanide;1-carboxyethylazanide;chlororuthenium(2+)?
The InChIKey is UHJDGWIFIREECC-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H6NO2.CH3.ClH.Ru/c1-2(4)3(5)6;;;/h2,4H,1H3,(H,5,6);1H3;1H;/q2*-1;;+3/p-1.
What are the key properties of carbanide;1-carboxyethylazanide;chlororuthenium(2+)?
carbanide;1-carboxyethylazanide;chlororuthenium(2+) has a molecular weight of 239.64 g/mol, XLogP of 1.65, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;1-carboxyethylazanide;chlororuthenium(2+) is sourced from PubChem (CID 59575984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).