beryllium 4-oxoniumylidenepentan-2-ylidene-[2-(4-oxoniumylidenepentan-2-ylideneazaniumyl)ethyl]azanium

C12H24BeN2O2+6 — CID 50911412

IUPACberyllium 4-oxoniumylidenepentan-2-ylidene-[2-(4-oxoniumylidenepentan-2-ylideneazaniumyl)ethyl]azanium
SMILES[Be+2].[H]/[O+]=C(\C)C/C(C)=[NH+]/CC/[NH+]=C(\C)C/C(C)=[O+]/[H]
InChIInChI=1S/C12H20N2O2.Be/c1-9(7-11(3)15)13-5-6-14-10(2)8-12(4)16;/h5-8H2,1-4H3;/q;+2/p+4/b13-9+,14-10+;
InChIKeyIUFKTXLUEWIAJM-ALGRVRKVSA-R
MW237.35 g/mol
LogP-2.40
Rot. Bonds7

About beryllium 4-oxoniumylidenepentan-2-ylidene-[2-(4-oxoniumylidenepentan-2-ylideneazaniumyl)ethyl]azanium

beryllium 4-oxoniumylidenepentan-2-ylidene-[2-(4-oxoniumylidenepentan-2-ylideneazaniumyl)ethyl]azanium (PubChem CID 50911412) has the molecular formula C12H24BeN2O2+6 and a molecular weight of 237.35 g/mol. Its IUPAC name is beryllium 4-oxoniumylidenepentan-2-ylidene-[2-(4-oxoniumylidenepentan-2-ylideneazaniumyl)ethyl]azanium.

Molecular Properties

Compound Nameberyllium 4-oxoniumylidenepentan-2-ylidene-[2-(4-oxoniumylidenepentan-2-ylideneazaniumyl)ethyl]azanium
PubChem CID50911412
Molecular FormulaC12H24BeN2O2+6
Molecular Weight237.35 g/mol
Exact Mass237.19
IUPAC Nameberyllium 4-oxoniumylidenepentan-2-ylidene-[2-(4-oxoniumylidenepentan-2-ylideneazaniumyl)ethyl]azanium
SMILES[Be+2].[H]/[O+]=C(\C)C/C(C)=[NH+]/CC/[NH+]=C(\C)C/C(C)=[O+]/[H]
InChIInChI=1S/C12H20N2O2.Be/c1-9(7-11(3)15)13-5-6-14-10(2)8-12(4)16;/h5-8H2,1-4H3;/q;+2/p+4/b13-9+,14-10+;
InChIKeyIUFKTXLUEWIAJM-ALGRVRKVSA-R
XLogP-2.40
TPSA70.74 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 5-2.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze beryllium 4-oxoniumylidenepentan-2-ylidene-[2-(4-oxoniumylidenepentan-2-ylideneazaniumyl)ethyl]azanium 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

4-[2-(Methylamino)ethylimino]pentan-2-one
CID 118002001
4-[2-[2-(4-Oxopentan-2-ylideneamino)ethylamino]ethylimino]pentan-2-one
CID 139771301
4-(2-Aminoethylimino)pentan-2-one;ethane
CID 144821709
Beryllium 4-oxoniumylidenepentan-2-ylidene-[2-(4-oxoniumylidenepentan-2-ylideneazaniumyl)ethyl]azanium
CID 3931425
5-(2-Aminoethylimino)hexan-2-one
CID 145295985

Frequently Asked Questions

What is the IUPAC name of beryllium 4-oxoniumylidenepentan-2-ylidene-[2-(4-oxoniumylidenepentan-2-ylideneazaniumyl)ethyl]azanium?
The IUPAC name of beryllium 4-oxoniumylidenepentan-2-ylidene-[2-(4-oxoniumylidenepentan-2-ylideneazaniumyl)ethyl]azanium (CID 50911412) is beryllium 4-oxoniumylidenepentan-2-ylidene-[2-(4-oxoniumylidenepentan-2-ylideneazaniumyl)ethyl]azanium.
What is the SMILES notation for beryllium 4-oxoniumylidenepentan-2-ylidene-[2-(4-oxoniumylidenepentan-2-ylideneazaniumyl)ethyl]azanium?
The canonical SMILES for beryllium 4-oxoniumylidenepentan-2-ylidene-[2-(4-oxoniumylidenepentan-2-ylideneazaniumyl)ethyl]azanium is [Be+2].[H]/[O+]=C(\C)C/C(C)=[NH+]/CC/[NH+]=C(\C)C/C(C)=[O+]/[H].
What is the InChIKey of beryllium 4-oxoniumylidenepentan-2-ylidene-[2-(4-oxoniumylidenepentan-2-ylideneazaniumyl)ethyl]azanium?
The InChIKey is IUFKTXLUEWIAJM-ALGRVRKVSA-R. The full InChI is InChI=1S/C12H20N2O2.Be/c1-9(7-11(3)15)13-5-6-14-10(2)8-12(4)16;/h5-8H2,1-4H3;/q;+2/p+4/b13-9+,14-10+;.
What are the key properties of beryllium 4-oxoniumylidenepentan-2-ylidene-[2-(4-oxoniumylidenepentan-2-ylideneazaniumyl)ethyl]azanium?
beryllium 4-oxoniumylidenepentan-2-ylidene-[2-(4-oxoniumylidenepentan-2-ylideneazaniumyl)ethyl]azanium has a molecular weight of 237.35 g/mol, XLogP of -2.40, 7 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for beryllium 4-oxoniumylidenepentan-2-ylidene-[2-(4-oxoniumylidenepentan-2-ylideneazaniumyl)ethyl]azanium is sourced from PubChem (CID 50911412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).