tert-butylimino(chloro)niobium;cyclopenta-1,3-diene;dimethylazanide

C11H20ClN2Nb-2 — CID 175400185

IUPACtert-butylimino(chloro)niobium;cyclopenta-1,3-diene;dimethylazanide
SMILESCC(C)(C)/N=[Nb]/Cl.C[N-]C.[C-]1=CC=CC1
InChIInChI=1S/C5H5.C4H9N.C2H6N.ClH.Nb/c1-2-4-5-3-1;1-4(2,3)5;1-3-2;;/h1-3H,4H2;1-3H3;1-2H3;1H;/q-1;;-1;;+1/p-1
InChIKeyJBIQRJOXZWRSLX-UHFFFAOYSA-M
MW308.65 g/mol
LogP4.13
Rot. Bonds

About tert-butylimino(chloro)niobium;cyclopenta-1,3-diene;dimethylazanide

tert-butylimino(chloro)niobium;cyclopenta-1,3-diene;dimethylazanide (PubChem CID 175400185) has the molecular formula C11H20ClN2Nb-2 and a molecular weight of 308.65 g/mol. Its IUPAC name is tert-butylimino(chloro)niobium;cyclopenta-1,3-diene;dimethylazanide.

Molecular Properties

Compound Nametert-butylimino(chloro)niobium;cyclopenta-1,3-diene;dimethylazanide
PubChem CID175400185
Molecular FormulaC11H20ClN2Nb-2
Molecular Weight308.65 g/mol
Exact Mass308.04
IUPAC Nametert-butylimino(chloro)niobium;cyclopenta-1,3-diene;dimethylazanide
SMILESCC(C)(C)/N=[Nb]/Cl.C[N-]C.[C-]1=CC=CC1
InChIInChI=1S/C5H5.C4H9N.C2H6N.ClH.Nb/c1-2-4-5-3-1;1-4(2,3)5;1-3-2;;/h1-3H,4H2;1-3H3;1-2H3;1H;/q-1;;-1;;+1/p-1
InChIKeyJBIQRJOXZWRSLX-UHFFFAOYSA-M
XLogP4.13
TPSA26.46 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.65
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 tert-butylimino(chloro)niobium;cyclopenta-1,3-diene;dimethylazanide?
The IUPAC name of tert-butylimino(chloro)niobium;cyclopenta-1,3-diene;dimethylazanide (CID 175400185) is tert-butylimino(chloro)niobium;cyclopenta-1,3-diene;dimethylazanide.
What is the SMILES notation for tert-butylimino(chloro)niobium;cyclopenta-1,3-diene;dimethylazanide?
The canonical SMILES for tert-butylimino(chloro)niobium;cyclopenta-1,3-diene;dimethylazanide is CC(C)(C)/N=[Nb]/Cl.C[N-]C.[C-]1=CC=CC1.
What is the InChIKey of tert-butylimino(chloro)niobium;cyclopenta-1,3-diene;dimethylazanide?
The InChIKey is JBIQRJOXZWRSLX-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H5.C4H9N.C2H6N.ClH.Nb/c1-2-4-5-3-1;1-4(2,3)5;1-3-2;;/h1-3H,4H2;1-3H3;1-2H3;1H;/q-1;;-1;;+1/p-1.
What are the key properties of tert-butylimino(chloro)niobium;cyclopenta-1,3-diene;dimethylazanide?
tert-butylimino(chloro)niobium;cyclopenta-1,3-diene;dimethylazanide has a molecular weight of 308.65 g/mol, XLogP of 4.13, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylimino(chloro)niobium;cyclopenta-1,3-diene;dimethylazanide is sourced from PubChem (CID 175400185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).