cyclopenta-1,3-diene;niobium;tetrahydrochloride

C5H9Cl4Nb- — CID 173012463

IUPACcyclopenta-1,3-diene;niobium;tetrahydrochloride
SMILESCl.Cl.Cl.Cl.[C-]1=CC=CC1.[Nb]
InChIInChI=1S/C5H5.4ClH.Nb/c1-2-4-5-3-1;;;;;/h1-3H,4H2;4*1H;/q-1;;;;;
InChIKeyPWHOINOFFYRRNJ-UHFFFAOYSA-N
MW303.85 g/mol
LogP2.99
Rot. Bonds

About cyclopenta-1,3-diene;niobium;tetrahydrochloride

cyclopenta-1,3-diene;niobium;tetrahydrochloride (PubChem CID 173012463) has the molecular formula C5H9Cl4Nb- and a molecular weight of 303.85 g/mol. Its IUPAC name is cyclopenta-1,3-diene;niobium;tetrahydrochloride.

Molecular Properties

Compound Namecyclopenta-1,3-diene;niobium;tetrahydrochloride
PubChem CID173012463
Molecular FormulaC5H9Cl4Nb-
Molecular Weight303.85 g/mol
Exact Mass301.85
IUPAC Namecyclopenta-1,3-diene;niobium;tetrahydrochloride
SMILESCl.Cl.Cl.Cl.[C-]1=CC=CC1.[Nb]
InChIInChI=1S/C5H5.4ClH.Nb/c1-2-4-5-3-1;;;;;/h1-3H,4H2;4*1H;/q-1;;;;;
InChIKeyPWHOINOFFYRRNJ-UHFFFAOYSA-N
XLogP2.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.85
LogP ≤ 52.99
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

bis(cyclopenta-1,3-diene);titanium(2+);hydrochloride
CID 20516591
bis(cyclopenta-1,3-diene);hafnium;hydrochloride
CID 87593145
bis(cyclopenta-1,3-diene);niobium(2+);dihydrochloride
CID 87245014
carbanide;cyclopenta-1,3-diene;titanium(2+);hydrochloride
CID 174301832
carbanide;tris(cyclopenta-1,3-diene);tris(hafnium(4+));trihydrochloride
CID 173293314
cyclopenta-1,3-diene;iridium(3+)
CID 19920890
bis(cyclopenta-1,3-diene);vanadium(2+)
CID 73455747
cyclopenta-1,3-diene;zirconium(4+)
CID 22421333
cesium cyclopenta-1,3-diene
CID 18362255
strontium bis(cyclopenta-1,3-diene)
CID 14513562
tris(cyclopenta-1,3-diene);gold(3+)
CID 174872260
bis(cyclopenta-1,3-diene);silylidenezirconium(2+);dihydrochloride
CID 173300775

Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;niobium;tetrahydrochloride?
The IUPAC name of cyclopenta-1,3-diene;niobium;tetrahydrochloride (CID 173012463) is cyclopenta-1,3-diene;niobium;tetrahydrochloride.
What is the SMILES notation for cyclopenta-1,3-diene;niobium;tetrahydrochloride?
The canonical SMILES for cyclopenta-1,3-diene;niobium;tetrahydrochloride is Cl.Cl.Cl.Cl.[C-]1=CC=CC1.[Nb].
What is the InChIKey of cyclopenta-1,3-diene;niobium;tetrahydrochloride?
The InChIKey is PWHOINOFFYRRNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5.4ClH.Nb/c1-2-4-5-3-1;;;;;/h1-3H,4H2;4*1H;/q-1;;;;;.
What are the key properties of cyclopenta-1,3-diene;niobium;tetrahydrochloride?
cyclopenta-1,3-diene;niobium;tetrahydrochloride has a molecular weight of 303.85 g/mol, XLogP of 2.99, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;niobium;tetrahydrochloride is sourced from PubChem (CID 173012463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).