azanide;carbanide;cyclopenta-1,3-diene;zirconium

C8H16NZr-5 — CID 175410282

IUPACazanide;carbanide;cyclopenta-1,3-diene;zirconium
SMILES[C-]1=CC=CC1.[CH3-].[CH3-].[CH3-].[NH2-].[Zr]
InChIInChI=1S/C5H5.3CH3.H2N.Zr/c1-2-4-5-3-1;;;;;/h1-3H,4H2;3*1H3;1H2;/q5*-1;
InChIKeyHDVHHJFNPZPGQI-UHFFFAOYSA-N
MW217.45 g/mol
LogP3.37
Rot. Bonds

About azanide;carbanide;cyclopenta-1,3-diene;zirconium

azanide;carbanide;cyclopenta-1,3-diene;zirconium (PubChem CID 175410282) has the molecular formula C8H16NZr-5 and a molecular weight of 217.45 g/mol. Its IUPAC name is azanide;carbanide;cyclopenta-1,3-diene;zirconium.

Molecular Properties

Compound Nameazanide;carbanide;cyclopenta-1,3-diene;zirconium
PubChem CID175410282
Molecular FormulaC8H16NZr-5
Molecular Weight217.45 g/mol
Exact Mass216.04
IUPAC Nameazanide;carbanide;cyclopenta-1,3-diene;zirconium
SMILES[C-]1=CC=CC1.[CH3-].[CH3-].[CH3-].[NH2-].[Zr]
InChIInChI=1S/C5H5.3CH3.H2N.Zr/c1-2-4-5-3-1;;;;;/h1-3H,4H2;3*1H3;1H2;/q5*-1;
InChIKeyHDVHHJFNPZPGQI-UHFFFAOYSA-N
XLogP3.37
TPSA33.50 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.45
LogP ≤ 53.37
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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Related Compounds

carbanide;bis(cyclopenta-1,3-diene);molybdenum(4+)
CID 175390139
cyclopenta-1,3-diene;hydride;zirconium
CID 173316209
carbanide;cyclopenta-1,3-diene;platinum(4+)
CID 53443065
carbanide;cyclopenta-1,3-diene;zinc
CID 173150447
zinc;carbanide;cyclopenta-1,3-diene
CID 23116545
carbanide;cyclopenta-1,3-diene;iridium tetrahydride
CID 173399564
carbanide;pentakis(cyclopenta-1,3-diene);platinum
CID 175422555
carbanide;cyclopenta-1,3-diene;osmium(2+)
CID 140608310
cyclopenta-1,3-diene;zirconium;trihydrofluoride
CID 173031456
carbanide;cyclopenta-1,3-diene;hydride;titanium(3+)
CID 173197965
carbanide;cyclopenta-1,3-diene;hydride;zirconium(4+)
CID 174257873
lithium;cyclopenta-1,3-diene;hydride;zirconium
CID 175302928

Frequently Asked Questions

What is the IUPAC name of azanide;carbanide;cyclopenta-1,3-diene;zirconium?
The IUPAC name of azanide;carbanide;cyclopenta-1,3-diene;zirconium (CID 175410282) is azanide;carbanide;cyclopenta-1,3-diene;zirconium.
What is the SMILES notation for azanide;carbanide;cyclopenta-1,3-diene;zirconium?
The canonical SMILES for azanide;carbanide;cyclopenta-1,3-diene;zirconium is [C-]1=CC=CC1.[CH3-].[CH3-].[CH3-].[NH2-].[Zr].
What is the InChIKey of azanide;carbanide;cyclopenta-1,3-diene;zirconium?
The InChIKey is HDVHHJFNPZPGQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5.3CH3.H2N.Zr/c1-2-4-5-3-1;;;;;/h1-3H,4H2;3*1H3;1H2;/q5*-1;.
What are the key properties of azanide;carbanide;cyclopenta-1,3-diene;zirconium?
azanide;carbanide;cyclopenta-1,3-diene;zirconium has a molecular weight of 217.45 g/mol, XLogP of 3.37, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for azanide;carbanide;cyclopenta-1,3-diene;zirconium is sourced from PubChem (CID 175410282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).