carbanide;propan-2-yl(prop-1-en-2-yl)azanide;ruthenium(3+)

C7H14NRu — CID 59157018

IUPACcarbanide;propan-2-yl(prop-1-en-2-yl)azanide;ruthenium(3+)
SMILES[CH3-].[H]/[C-]=C(\C)[N-]C(C)C.[Ru+3]
InChIInChI=1S/C6H11N.CH3.Ru/c1-5(2)7-6(3)4;;/h1,6H,2-4H3;1H3;/q-2;-1;+3
InChIKeySKFMLAYGIMDPEG-UHFFFAOYSA-N
MW213.27 g/mol
LogP2.55
Rot. Bonds2

About carbanide;propan-2-yl(prop-1-en-2-yl)azanide;ruthenium(3+)

carbanide;propan-2-yl(prop-1-en-2-yl)azanide;ruthenium(3+) (PubChem CID 59157018) has the molecular formula C7H14NRu and a molecular weight of 213.27 g/mol. Its IUPAC name is carbanide;propan-2-yl(prop-1-en-2-yl)azanide;ruthenium(3+).

Molecular Properties

Compound Namecarbanide;propan-2-yl(prop-1-en-2-yl)azanide;ruthenium(3+)
PubChem CID59157018
Molecular FormulaC7H14NRu
Molecular Weight213.27 g/mol
Exact Mass214.02
IUPAC Namecarbanide;propan-2-yl(prop-1-en-2-yl)azanide;ruthenium(3+)
SMILES[CH3-].[H]/[C-]=C(\C)[N-]C(C)C.[Ru+3]
InChIInChI=1S/C6H11N.CH3.Ru/c1-5(2)7-6(3)4;;/h1,6H,2-4H3;1H3;/q-2;-1;+3
InChIKeySKFMLAYGIMDPEG-UHFFFAOYSA-N
XLogP2.55
TPSA14.10 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.27
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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;propan-2-yl(prop-1-en-2-yl)azanide;ruthenium(3+)?
The IUPAC name of carbanide;propan-2-yl(prop-1-en-2-yl)azanide;ruthenium(3+) (CID 59157018) is carbanide;propan-2-yl(prop-1-en-2-yl)azanide;ruthenium(3+).
What is the SMILES notation for carbanide;propan-2-yl(prop-1-en-2-yl)azanide;ruthenium(3+)?
The canonical SMILES for carbanide;propan-2-yl(prop-1-en-2-yl)azanide;ruthenium(3+) is [CH3-].[H]/[C-]=C(\C)[N-]C(C)C.[Ru+3].
What is the InChIKey of carbanide;propan-2-yl(prop-1-en-2-yl)azanide;ruthenium(3+)?
The InChIKey is SKFMLAYGIMDPEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N.CH3.Ru/c1-5(2)7-6(3)4;;/h1,6H,2-4H3;1H3;/q-2;-1;+3.
What are the key properties of carbanide;propan-2-yl(prop-1-en-2-yl)azanide;ruthenium(3+)?
carbanide;propan-2-yl(prop-1-en-2-yl)azanide;ruthenium(3+) has a molecular weight of 213.27 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;propan-2-yl(prop-1-en-2-yl)azanide;ruthenium(3+) is sourced from PubChem (CID 59157018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).