CID 135082865

C14H22N2Zr — CID 135082865

IUPAC—
SMILESC[N-]C.C[N-]C.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Zr+2]
InChIInChI=1S/2C5H5.2C2H6N.Zr/c2*1-2-4-5-3-1;2*1-3-2;/h2*1-5H;2*1-2H3;/q;;2*-1;+2
InChIKeyGHEBGVRHINJCNZ-UHFFFAOYSA-N
MW309.57 g/mol
LogP3.28
Rot. Bonds

About CID 135082865

CID 135082865 (PubChem CID 135082865) has the molecular formula C14H22N2Zr and a molecular weight of 309.57 g/mol.

Molecular Properties

Compound NameCID 135082865
PubChem CID135082865
Molecular FormulaC14H22N2Zr
Molecular Weight309.57 g/mol
Exact Mass308.08
IUPAC Name—
SMILESC[N-]C.C[N-]C.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Zr+2]
InChIInChI=1S/2C5H5.2C2H6N.Zr/c2*1-2-4-5-3-1;2*1-3-2;/h2*1-5H;2*1-2H3;/q;;2*-1;+2
InChIKeyGHEBGVRHINJCNZ-UHFFFAOYSA-N
XLogP3.28
TPSA28.20 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.57
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 57370739
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CID 158125038
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CID 159099906
tris(dimethylazanide);hafnium(4+);chloride
CID 23015303
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Frequently Asked Questions

What is the IUPAC name of CID 135082865?
The IUPAC name of CID 135082865 (CID 135082865) is not available.
What is the SMILES notation for CID 135082865?
The canonical SMILES for CID 135082865 is C[N-]C.C[N-]C.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Zr+2].
What is the InChIKey of CID 135082865?
The InChIKey is GHEBGVRHINJCNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H5.2C2H6N.Zr/c2*1-2-4-5-3-1;2*1-3-2;/h2*1-5H;2*1-2H3;/q;;2*-1;+2.
What are the key properties of CID 135082865?
CID 135082865 has a molecular weight of 309.57 g/mol, XLogP of 3.28, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 135082865 is sourced from PubChem (CID 135082865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).