cobalt(2+);ethane;bis((NE)-N-[(3E)-3-hydroxyiminobutan-2-ylidene]hydroxylamine);piperidin-1-ide

C15H31CoN5O4 — CID 138395283

IUPACcobalt(2+);ethane;bis((NE)-N-[(3E)-3-hydroxyiminobutan-2-ylidene]hydroxylamine);piperidin-1-ide
SMILESC1CC[N-]CC1.CC(=N\O)/C(C)=N/O.CC(=N\O)/C(C)=N/O.[CH2-]C.[Co+2]
InChIInChI=1S/C5H10N.2C4H8N2O2.C2H5.Co/c1-2-4-6-5-3-1;2*1-3(5-7)4(2)6-8;1-2;/h1-5H2;2*7-8H,1-2H3;1H2,2H3;/q-1;;;-1;+2/b;2*5-3+,6-4+;;
InChIKeyNERPEIGAGOBLMZ-DVTASQICSA-N
MW404.38 g/mol
LogP3.76
Rot. Bonds2

About cobalt(2+);ethane;bis((NE)-N-[(3E)-3-hydroxyiminobutan-2-ylidene]hydroxylamine);piperidin-1-ide

cobalt(2+);ethane;bis((NE)-N-[(3E)-3-hydroxyiminobutan-2-ylidene]hydroxylamine);piperidin-1-ide (PubChem CID 138395283) has the molecular formula C15H31CoN5O4 and a molecular weight of 404.38 g/mol. Its IUPAC name is cobalt(2+);ethane;bis((NE)-N-[(3E)-3-hydroxyiminobutan-2-ylidene]hydroxylamine);piperidin-1-ide.

Molecular Properties

Compound Namecobalt(2+);ethane;bis((NE)-N-[(3E)-3-hydroxyiminobutan-2-ylidene]hydroxylamine);piperidin-1-ide
PubChem CID138395283
Molecular FormulaC15H31CoN5O4
Molecular Weight404.38 g/mol
Exact Mass404.17
IUPAC Namecobalt(2+);ethane;bis((NE)-N-[(3E)-3-hydroxyiminobutan-2-ylidene]hydroxylamine);piperidin-1-ide
SMILESC1CC[N-]CC1.CC(=N\O)/C(C)=N/O.CC(=N\O)/C(C)=N/O.[CH2-]C.[Co+2]
InChIInChI=1S/C5H10N.2C4H8N2O2.C2H5.Co/c1-2-4-6-5-3-1;2*1-3(5-7)4(2)6-8;1-2;/h1-5H2;2*7-8H,1-2H3;1H2,2H3;/q-1;;;-1;+2/b;2*5-3+,6-4+;;
InChIKeyNERPEIGAGOBLMZ-DVTASQICSA-N
XLogP3.76
TPSA144.46 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.38
LogP ≤ 53.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

cobalt(2+);hydrogen sulfite;bis((NE)-N-[(3E)-3-hydroxyiminobutan-2-ylidene]hydroxylamine);piperidin-1-ide
CID 138395288
cobalt(2+);bis(N-(3-hydroxyiminobutan-2-ylidene)hydroxylamine);methyl propanoate;piperidin-1-ide
CID 54720908
acetic acid;copper(1+);piperidin-1-ide
CID 164670473
iron(3+);piperidin-1-ide
CID 150983339
lithium azanidacycloheptane
CID 11105324
iron(4+);tetrakis(piperidin-1-ide)
CID 54611926
azanidacycloheptane;tungsten
CID 156681038
molybdenum(2+);piperidin-1-ide;pyrrolidin-1-ide
CID 151025303
carbanide;piperidin-1-ide;titanium(3+)
CID 20687678
cyclohexane;N-propan-2-ylidenehydroxylamine
CID 157398506
bis(piperidin-1-ide);trichlororhodium
CID 54604493
difluorozirconium(2+);bis(piperidin-1-ide)
CID 173243334

Frequently Asked Questions

What is the IUPAC name of cobalt(2+);ethane;bis((NE)-N-[(3E)-3-hydroxyiminobutan-2-ylidene]hydroxylamine);piperidin-1-ide?
The IUPAC name of cobalt(2+);ethane;bis((NE)-N-[(3E)-3-hydroxyiminobutan-2-ylidene]hydroxylamine);piperidin-1-ide (CID 138395283) is cobalt(2+);ethane;bis((NE)-N-[(3E)-3-hydroxyiminobutan-2-ylidene]hydroxylamine);piperidin-1-ide.
What is the SMILES notation for cobalt(2+);ethane;bis((NE)-N-[(3E)-3-hydroxyiminobutan-2-ylidene]hydroxylamine);piperidin-1-ide?
The canonical SMILES for cobalt(2+);ethane;bis((NE)-N-[(3E)-3-hydroxyiminobutan-2-ylidene]hydroxylamine);piperidin-1-ide is C1CC[N-]CC1.CC(=N\O)/C(C)=N/O.CC(=N\O)/C(C)=N/O.[CH2-]C.[Co+2].
What is the InChIKey of cobalt(2+);ethane;bis((NE)-N-[(3E)-3-hydroxyiminobutan-2-ylidene]hydroxylamine);piperidin-1-ide?
The InChIKey is NERPEIGAGOBLMZ-DVTASQICSA-N. The full InChI is InChI=1S/C5H10N.2C4H8N2O2.C2H5.Co/c1-2-4-6-5-3-1;2*1-3(5-7)4(2)6-8;1-2;/h1-5H2;2*7-8H,1-2H3;1H2,2H3;/q-1;;;-1;+2/b;2*5-3+,6-4+;;.
What are the key properties of cobalt(2+);ethane;bis((NE)-N-[(3E)-3-hydroxyiminobutan-2-ylidene]hydroxylamine);piperidin-1-ide?
cobalt(2+);ethane;bis((NE)-N-[(3E)-3-hydroxyiminobutan-2-ylidene]hydroxylamine);piperidin-1-ide has a molecular weight of 404.38 g/mol, XLogP of 3.76, 2 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(2+);ethane;bis((NE)-N-[(3E)-3-hydroxyiminobutan-2-ylidene]hydroxylamine);piperidin-1-ide is sourced from PubChem (CID 138395283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).