cobalt;bis(2-N,3-N-dioxidobutane-2,3-diimine);methanidylcyclopentane;pyridine

C19H28CoN5O4-5 — CID 4588599

IUPACcobalt;bis(2-N,3-N-dioxidobutane-2,3-diimine);methanidylcyclopentane;pyridine
SMILESCC(=N[O-])C(C)=N[O-].CC(=N[O-])C(C)=N[O-].[CH2-]C1CCCC1.[Co].c1ccncc1
InChIInChI=1S/C6H11.C5H5N.2C4H8N2O2.Co/c1-6-4-2-3-5-6;1-2-4-6-5-3-1;2*1-3(5-7)4(2)6-8;/h6H,1-5H2;1-5H;2*7-8H,1-2H3;/q-1;;;;/p-4
InChIKeyOFCXCPCEYRMIBK-UHFFFAOYSA-J
MW449.40 g/mol
LogP4.90
Rot. Bonds2

About cobalt;bis(2-N,3-N-dioxidobutane-2,3-diimine);methanidylcyclopentane;pyridine

cobalt;bis(2-N,3-N-dioxidobutane-2,3-diimine);methanidylcyclopentane;pyridine (PubChem CID 4588599) has the molecular formula C19H28CoN5O4-5 and a molecular weight of 449.40 g/mol. Its IUPAC name is cobalt;bis(2-N,3-N-dioxidobutane-2,3-diimine);methanidylcyclopentane;pyridine.

Molecular Properties

Compound Namecobalt;bis(2-N,3-N-dioxidobutane-2,3-diimine);methanidylcyclopentane;pyridine
PubChem CID4588599
Molecular FormulaC19H28CoN5O4-5
Molecular Weight449.40 g/mol
Exact Mass449.15
IUPAC Namecobalt;bis(2-N,3-N-dioxidobutane-2,3-diimine);methanidylcyclopentane;pyridine
SMILESCC(=N[O-])C(C)=N[O-].CC(=N[O-])C(C)=N[O-].[CH2-]C1CCCC1.[Co].c1ccncc1
InChIInChI=1S/C6H11.C5H5N.2C4H8N2O2.Co/c1-6-4-2-3-5-6;1-2-4-6-5-3-1;2*1-3(5-7)4(2)6-8;/h6H,1-5H2;1-5H;2*7-8H,1-2H3;/q-1;;;;/p-4
InChIKeyOFCXCPCEYRMIBK-UHFFFAOYSA-J
XLogP4.90
TPSA154.57 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.40
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cobalt;bis(2-N,3-N-dioxidobutane-2,3-diimine);methanidylcyclopentane;pyridine?
The IUPAC name of cobalt;bis(2-N,3-N-dioxidobutane-2,3-diimine);methanidylcyclopentane;pyridine (CID 4588599) is cobalt;bis(2-N,3-N-dioxidobutane-2,3-diimine);methanidylcyclopentane;pyridine.
What is the SMILES notation for cobalt;bis(2-N,3-N-dioxidobutane-2,3-diimine);methanidylcyclopentane;pyridine?
The canonical SMILES for cobalt;bis(2-N,3-N-dioxidobutane-2,3-diimine);methanidylcyclopentane;pyridine is CC(=N[O-])C(C)=N[O-].CC(=N[O-])C(C)=N[O-].[CH2-]C1CCCC1.[Co].c1ccncc1.
What is the InChIKey of cobalt;bis(2-N,3-N-dioxidobutane-2,3-diimine);methanidylcyclopentane;pyridine?
The InChIKey is OFCXCPCEYRMIBK-UHFFFAOYSA-J. The full InChI is InChI=1S/C6H11.C5H5N.2C4H8N2O2.Co/c1-6-4-2-3-5-6;1-2-4-6-5-3-1;2*1-3(5-7)4(2)6-8;/h6H,1-5H2;1-5H;2*7-8H,1-2H3;/q-1;;;;/p-4.
What are the key properties of cobalt;bis(2-N,3-N-dioxidobutane-2,3-diimine);methanidylcyclopentane;pyridine?
cobalt;bis(2-N,3-N-dioxidobutane-2,3-diimine);methanidylcyclopentane;pyridine has a molecular weight of 449.40 g/mol, XLogP of 4.90, 2 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt;bis(2-N,3-N-dioxidobutane-2,3-diimine);methanidylcyclopentane;pyridine is sourced from PubChem (CID 4588599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).