bis(cyclopenta-1,3-diene);niobium(2+);dihydrochloride

C10H12Cl2Nb — CID 87245014

IUPACbis(cyclopenta-1,3-diene);niobium(2+);dihydrochloride
SMILESCl.Cl.[C-]1=CC=CC1.[C-]1=CC=CC1.[Nb+2]
InChIInChI=1S/2C5H5.2ClH.Nb/c2*1-2-4-5-3-1;;;/h2*1-3H,4H2;2*1H;/q2*-1;;;+2
InChIKeyKQAXSINDFVOJLR-UHFFFAOYSA-N
MW296.02 g/mol
LogP3.45
Rot. Bonds

About bis(cyclopenta-1,3-diene);niobium(2+);dihydrochloride

bis(cyclopenta-1,3-diene);niobium(2+);dihydrochloride (PubChem CID 87245014) has the molecular formula C10H12Cl2Nb and a molecular weight of 296.02 g/mol. Its IUPAC name is bis(cyclopenta-1,3-diene);niobium(2+);dihydrochloride.

Molecular Properties

Compound Namebis(cyclopenta-1,3-diene);niobium(2+);dihydrochloride
PubChem CID87245014
Molecular FormulaC10H12Cl2Nb
Molecular Weight296.02 g/mol
Exact Mass294.94
IUPAC Namebis(cyclopenta-1,3-diene);niobium(2+);dihydrochloride
SMILESCl.Cl.[C-]1=CC=CC1.[C-]1=CC=CC1.[Nb+2]
InChIInChI=1S/2C5H5.2ClH.Nb/c2*1-2-4-5-3-1;;;/h2*1-3H,4H2;2*1H;/q2*-1;;;+2
InChIKeyKQAXSINDFVOJLR-UHFFFAOYSA-N
XLogP3.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.02
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze bis(cyclopenta-1,3-diene);niobium(2+);dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

bis(cyclopenta-1,3-diene);titanium(2+);hydrochloride
CID 20516591
bis(cyclopenta-1,3-diene);hafnium;hydrochloride
CID 87593145
hexakis(cyclopenta-1,3-diene);tris(niobium(2+));trichloride
CID 21269223
cyclopenta-1,3-diene;niobium;tetrahydrochloride
CID 173012463
carbanide;cyclopenta-1,3-diene;titanium(2+);hydrochloride
CID 174301832
carbanide;tris(cyclopenta-1,3-diene);tris(hafnium(4+));trihydrochloride
CID 173293314
cesium cyclopenta-1,3-diene
CID 18362255
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
strontium bis(cyclopenta-1,3-diene)
CID 14513562
tris(cyclopenta-1,3-diene);gold(3+)
CID 174872260

Frequently Asked Questions

What is the IUPAC name of bis(cyclopenta-1,3-diene);niobium(2+);dihydrochloride?
The IUPAC name of bis(cyclopenta-1,3-diene);niobium(2+);dihydrochloride (CID 87245014) is bis(cyclopenta-1,3-diene);niobium(2+);dihydrochloride.
What is the SMILES notation for bis(cyclopenta-1,3-diene);niobium(2+);dihydrochloride?
The canonical SMILES for bis(cyclopenta-1,3-diene);niobium(2+);dihydrochloride is Cl.Cl.[C-]1=CC=CC1.[C-]1=CC=CC1.[Nb+2].
What is the InChIKey of bis(cyclopenta-1,3-diene);niobium(2+);dihydrochloride?
The InChIKey is KQAXSINDFVOJLR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H5.2ClH.Nb/c2*1-2-4-5-3-1;;;/h2*1-3H,4H2;2*1H;/q2*-1;;;+2.
What are the key properties of bis(cyclopenta-1,3-diene);niobium(2+);dihydrochloride?
bis(cyclopenta-1,3-diene);niobium(2+);dihydrochloride has a molecular weight of 296.02 g/mol, XLogP of 3.45, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(cyclopenta-1,3-diene);niobium(2+);dihydrochloride is sourced from PubChem (CID 87245014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).