carbanide;cyclopenta-1,3-diene;tris(dimethylazanide);zirconium(3+)

C12H26N3Zr-2 — CID 18428881

IUPACcarbanide;cyclopenta-1,3-diene;tris(dimethylazanide);zirconium(3+)
SMILESC[N-]C.C[N-]C.C[N-]C.[C-]1=CC=CC1.[CH3-].[Zr+3]
InChIInChI=1S/C5H5.3C2H6N.CH3.Zr/c1-2-4-5-3-1;3*1-3-2;;/h1-3H,4H2;3*1-2H3;1H3;/q5*-1;+3
InChIKeyJEVDTDTZKBCMFN-UHFFFAOYSA-N
MW303.59 g/mol
LogP3.61
Rot. Bonds

About carbanide;cyclopenta-1,3-diene;tris(dimethylazanide);zirconium(3+)

carbanide;cyclopenta-1,3-diene;tris(dimethylazanide);zirconium(3+) (PubChem CID 18428881) has the molecular formula C12H26N3Zr-2 and a molecular weight of 303.59 g/mol. Its IUPAC name is carbanide;cyclopenta-1,3-diene;tris(dimethylazanide);zirconium(3+).

Molecular Properties

Compound Namecarbanide;cyclopenta-1,3-diene;tris(dimethylazanide);zirconium(3+)
PubChem CID18428881
Molecular FormulaC12H26N3Zr-2
Molecular Weight303.59 g/mol
Exact Mass302.12
IUPAC Namecarbanide;cyclopenta-1,3-diene;tris(dimethylazanide);zirconium(3+)
SMILESC[N-]C.C[N-]C.C[N-]C.[C-]1=CC=CC1.[CH3-].[Zr+3]
InChIInChI=1S/C5H5.3C2H6N.CH3.Zr/c1-2-4-5-3-1;3*1-3-2;;/h1-3H,4H2;3*1-2H3;1H3;/q5*-1;+3
InChIKeyJEVDTDTZKBCMFN-UHFFFAOYSA-N
XLogP3.61
TPSA42.30 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.59
LogP ≤ 53.61
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;cyclopenta-1,3-diene;tris(dimethylazanide);zirconium(3+)?
The IUPAC name of carbanide;cyclopenta-1,3-diene;tris(dimethylazanide);zirconium(3+) (CID 18428881) is carbanide;cyclopenta-1,3-diene;tris(dimethylazanide);zirconium(3+).
What is the SMILES notation for carbanide;cyclopenta-1,3-diene;tris(dimethylazanide);zirconium(3+)?
The canonical SMILES for carbanide;cyclopenta-1,3-diene;tris(dimethylazanide);zirconium(3+) is C[N-]C.C[N-]C.C[N-]C.[C-]1=CC=CC1.[CH3-].[Zr+3].
What is the InChIKey of carbanide;cyclopenta-1,3-diene;tris(dimethylazanide);zirconium(3+)?
The InChIKey is JEVDTDTZKBCMFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5.3C2H6N.CH3.Zr/c1-2-4-5-3-1;3*1-3-2;;/h1-3H,4H2;3*1-2H3;1H3;/q5*-1;+3.
What are the key properties of carbanide;cyclopenta-1,3-diene;tris(dimethylazanide);zirconium(3+)?
carbanide;cyclopenta-1,3-diene;tris(dimethylazanide);zirconium(3+) has a molecular weight of 303.59 g/mol, XLogP of 3.61, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;cyclopenta-1,3-diene;tris(dimethylazanide);zirconium(3+) is sourced from PubChem (CID 18428881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).