cobalt(2+);bis(2-hydroxyethyl-[3-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]propyl]azanide)

C24H34CoN4O4 — CID 6823354

IUPACcobalt(2+);bis(2-hydroxyethyl-[3-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]propyl]azanide)
SMILESO=C1C=CC=CC1=CNCCC[N-]CCO.O=C1C=CC=CC1=CNCCC[N-]CCO.[Co+2]
InChIInChI=1S/2C12H17N2O2.Co/c2*15-9-8-13-6-3-7-14-10-11-4-1-2-5-12(11)16;/h2*1-2,4-5,10,14-15H,3,6-9H2;/q2*-1;+2
InChIKeyGPILYUYFVSBSOM-UHFFFAOYSA-N
MW501.49 g/mol
LogP1.82
Rot. Bonds14

About cobalt(2+);bis(2-hydroxyethyl-[3-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]propyl]azanide)

cobalt(2+);bis(2-hydroxyethyl-[3-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]propyl]azanide) (PubChem CID 6823354) has the molecular formula C24H34CoN4O4 and a molecular weight of 501.49 g/mol. Its IUPAC name is cobalt(2+);bis(2-hydroxyethyl-[3-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]propyl]azanide).

Molecular Properties

Compound Namecobalt(2+);bis(2-hydroxyethyl-[3-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]propyl]azanide)
PubChem CID6823354
Molecular FormulaC24H34CoN4O4
Molecular Weight501.49 g/mol
Exact Mass501.19
IUPAC Namecobalt(2+);bis(2-hydroxyethyl-[3-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]propyl]azanide)
SMILESO=C1C=CC=CC1=CNCCC[N-]CCO.O=C1C=CC=CC1=CNCCC[N-]CCO.[Co+2]
InChIInChI=1S/2C12H17N2O2.Co/c2*15-9-8-13-6-3-7-14-10-11-4-1-2-5-12(11)16;/h2*1-2,4-5,10,14-15H,3,6-9H2;/q2*-1;+2
InChIKeyGPILYUYFVSBSOM-UHFFFAOYSA-N
XLogP1.82
TPSA126.86 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.49
LogP ≤ 51.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cobalt(2+);bis(2-hydroxyethyl-[3-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]propyl]azanide)?
The IUPAC name of cobalt(2+);bis(2-hydroxyethyl-[3-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]propyl]azanide) (CID 6823354) is cobalt(2+);bis(2-hydroxyethyl-[3-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]propyl]azanide).
What is the SMILES notation for cobalt(2+);bis(2-hydroxyethyl-[3-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]propyl]azanide)?
The canonical SMILES for cobalt(2+);bis(2-hydroxyethyl-[3-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]propyl]azanide) is O=C1C=CC=CC1=CNCCC[N-]CCO.O=C1C=CC=CC1=CNCCC[N-]CCO.[Co+2].
What is the InChIKey of cobalt(2+);bis(2-hydroxyethyl-[3-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]propyl]azanide)?
The InChIKey is GPILYUYFVSBSOM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H17N2O2.Co/c2*15-9-8-13-6-3-7-14-10-11-4-1-2-5-12(11)16;/h2*1-2,4-5,10,14-15H,3,6-9H2;/q2*-1;+2.
What are the key properties of cobalt(2+);bis(2-hydroxyethyl-[3-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]propyl]azanide)?
cobalt(2+);bis(2-hydroxyethyl-[3-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]propyl]azanide) has a molecular weight of 501.49 g/mol, XLogP of 1.82, 14 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(2+);bis(2-hydroxyethyl-[3-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]propyl]azanide) is sourced from PubChem (CID 6823354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).