carbanide;2,5-dimethyl-2-prop-2-enylpyrrole;ruthenium(3+)

C11H18NRu — CID 87610755

IUPACcarbanide;2,5-dimethyl-2-prop-2-enylpyrrole;ruthenium(3+)
SMILESC=C[CH-]C1(C)C=CC(C)=N1.[CH3-].[CH3-].[Ru+3]
InChIInChI=1S/C9H12N.2CH3.Ru/c1-4-6-9(3)7-5-8(2)10-9;;;/h4-7H,1H2,2-3H3;2*1H3;/q3*-1;+3
InChIKeyKRLMZGMMTWUVBV-UHFFFAOYSA-N
MW265.34 g/mol
LogP3.06
Rot. Bonds2

About carbanide;2,5-dimethyl-2-prop-2-enylpyrrole;ruthenium(3+)

carbanide;2,5-dimethyl-2-prop-2-enylpyrrole;ruthenium(3+) (PubChem CID 87610755) has the molecular formula C11H18NRu and a molecular weight of 265.34 g/mol. Its IUPAC name is carbanide;2,5-dimethyl-2-prop-2-enylpyrrole;ruthenium(3+).

Molecular Properties

Compound Namecarbanide;2,5-dimethyl-2-prop-2-enylpyrrole;ruthenium(3+)
PubChem CID87610755
Molecular FormulaC11H18NRu
Molecular Weight265.34 g/mol
Exact Mass266.05
IUPAC Namecarbanide;2,5-dimethyl-2-prop-2-enylpyrrole;ruthenium(3+)
SMILESC=C[CH-]C1(C)C=CC(C)=N1.[CH3-].[CH3-].[Ru+3]
InChIInChI=1S/C9H12N.2CH3.Ru/c1-4-6-9(3)7-5-8(2)10-9;;;/h4-7H,1H2,2-3H3;2*1H3;/q3*-1;+3
InChIKeyKRLMZGMMTWUVBV-UHFFFAOYSA-N
XLogP3.06
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 53.06
H-Bond Donors ≤ 50
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;2,5-dimethyl-2-prop-2-enylpyrrole;ruthenium(3+)?
The IUPAC name of carbanide;2,5-dimethyl-2-prop-2-enylpyrrole;ruthenium(3+) (CID 87610755) is carbanide;2,5-dimethyl-2-prop-2-enylpyrrole;ruthenium(3+).
What is the SMILES notation for carbanide;2,5-dimethyl-2-prop-2-enylpyrrole;ruthenium(3+)?
The canonical SMILES for carbanide;2,5-dimethyl-2-prop-2-enylpyrrole;ruthenium(3+) is C=C[CH-]C1(C)C=CC(C)=N1.[CH3-].[CH3-].[Ru+3].
What is the InChIKey of carbanide;2,5-dimethyl-2-prop-2-enylpyrrole;ruthenium(3+)?
The InChIKey is KRLMZGMMTWUVBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N.2CH3.Ru/c1-4-6-9(3)7-5-8(2)10-9;;;/h4-7H,1H2,2-3H3;2*1H3;/q3*-1;+3.
What are the key properties of carbanide;2,5-dimethyl-2-prop-2-enylpyrrole;ruthenium(3+)?
carbanide;2,5-dimethyl-2-prop-2-enylpyrrole;ruthenium(3+) has a molecular weight of 265.34 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;2,5-dimethyl-2-prop-2-enylpyrrole;ruthenium(3+) is sourced from PubChem (CID 87610755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).