2-tert-butyl-1-methanidylindolizine;pentakis(vanadium)

C13H16NV5- — CID 58787372

IUPAC2-tert-butyl-1-methanidylindolizine;pentakis(vanadium)
SMILES[CH2-]c1c(C(C)(C)C)cn2ccccc12.[V].[V].[V].[V].[V]
InChIInChI=1S/C13H16N.5V/c1-10-11(13(2,3)4)9-14-8-6-5-7-12(10)14;;;;;/h5-9H,1H2,2-4H3;;;;;/q-1;;;;;
InChIKeyRWGCUMOMMLCFKW-UHFFFAOYSA-N
MW441.00 g/mol
LogP3.41
Rot. Bonds

About 2-tert-butyl-1-methanidylindolizine;pentakis(vanadium)

2-tert-butyl-1-methanidylindolizine;pentakis(vanadium) (PubChem CID 58787372) has the molecular formula C13H16NV5- and a molecular weight of 441.00 g/mol. Its IUPAC name is 2-tert-butyl-1-methanidylindolizine;pentakis(vanadium).

Molecular Properties

Compound Name2-tert-butyl-1-methanidylindolizine;pentakis(vanadium)
PubChem CID58787372
Molecular FormulaC13H16NV5-
Molecular Weight441.00 g/mol
Exact Mass440.85
IUPAC Name2-tert-butyl-1-methanidylindolizine;pentakis(vanadium)
SMILES[CH2-]c1c(C(C)(C)C)cn2ccccc12.[V].[V].[V].[V].[V]
InChIInChI=1S/C13H16N.5V/c1-10-11(13(2,3)4)9-14-8-6-5-7-12(10)14;;;;;/h5-9H,1H2,2-4H3;;;;;/q-1;;;;;
InChIKeyRWGCUMOMMLCFKW-UHFFFAOYSA-N
XLogP3.41
TPSA4.41 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.00
LogP ≤ 53.41
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 2-tert-butyl-1-methanidylindolizine;pentakis(vanadium)?
The IUPAC name of 2-tert-butyl-1-methanidylindolizine;pentakis(vanadium) (CID 58787372) is 2-tert-butyl-1-methanidylindolizine;pentakis(vanadium).
What is the SMILES notation for 2-tert-butyl-1-methanidylindolizine;pentakis(vanadium)?
The canonical SMILES for 2-tert-butyl-1-methanidylindolizine;pentakis(vanadium) is [CH2-]c1c(C(C)(C)C)cn2ccccc12.[V].[V].[V].[V].[V].
What is the InChIKey of 2-tert-butyl-1-methanidylindolizine;pentakis(vanadium)?
The InChIKey is RWGCUMOMMLCFKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N.5V/c1-10-11(13(2,3)4)9-14-8-6-5-7-12(10)14;;;;;/h5-9H,1H2,2-4H3;;;;;/q-1;;;;;.
What are the key properties of 2-tert-butyl-1-methanidylindolizine;pentakis(vanadium)?
2-tert-butyl-1-methanidylindolizine;pentakis(vanadium) has a molecular weight of 441.00 g/mol, XLogP of 3.41, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-methanidylindolizine;pentakis(vanadium) is sourced from PubChem (CID 58787372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).