chlorocobalt(1+);morpholin-4-ide;bis(N-(3-nitrosobut-2-en-2-yl)hydroxylamine)

C12H24ClCoN5O5 — CID 5259603

IUPACchlorocobalt(1+);morpholin-4-ide;bis(N-(3-nitrosobut-2-en-2-yl)hydroxylamine)
SMILESC1COCC[N-]1.CC(N=O)=C(C)NO.CC(N=O)=C(C)NO.Cl[Co+]
InChIInChI=1S/2C4H8N2O2.C4H8NO.ClH.Co/c2*1-3(5-7)4(2)6-8;1-3-6-4-2-5-1;;/h2*5,7H,1-2H3;1-4H2;1H;/q;;-1;;+2/p-1
InChIKeyDLOGSZLEYWZXKF-UHFFFAOYSA-M
MW412.74 g/mol
LogP3.04
Rot. Bonds4

About chlorocobalt(1+);morpholin-4-ide;bis(N-(3-nitrosobut-2-en-2-yl)hydroxylamine)

chlorocobalt(1+);morpholin-4-ide;bis(N-(3-nitrosobut-2-en-2-yl)hydroxylamine) (PubChem CID 5259603) has the molecular formula C12H24ClCoN5O5 and a molecular weight of 412.74 g/mol. Its IUPAC name is chlorocobalt(1+);morpholin-4-ide;bis(N-(3-nitrosobut-2-en-2-yl)hydroxylamine).

Molecular Properties

Compound Namechlorocobalt(1+);morpholin-4-ide;bis(N-(3-nitrosobut-2-en-2-yl)hydroxylamine)
PubChem CID5259603
Molecular FormulaC12H24ClCoN5O5
Molecular Weight412.74 g/mol
Exact Mass412.08
IUPAC Namechlorocobalt(1+);morpholin-4-ide;bis(N-(3-nitrosobut-2-en-2-yl)hydroxylamine)
SMILESC1COCC[N-]1.CC(N=O)=C(C)NO.CC(N=O)=C(C)NO.Cl[Co+]
InChIInChI=1S/2C4H8N2O2.C4H8NO.ClH.Co/c2*1-3(5-7)4(2)6-8;1-3-6-4-2-5-1;;/h2*5,7H,1-2H3;1-4H2;1H;/q;;-1;;+2/p-1
InChIKeyDLOGSZLEYWZXKF-UHFFFAOYSA-M
XLogP3.04
TPSA146.71 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.74
LogP ≤ 53.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

morpholin-4-ide;titanium
CID 151347751
dichloropalladium;morpholin-4-ide
CID 168665096
1,1-dichloro-2-nitrosoprop-1-ene
CID 12727294
1,4-dioxane;propan-2-one
CID 22407776
2-methyl-1,3-dioxa-6-azanida-2-boracyclooctane;rhenium
CID 154561593
N-hydroxy-2-methyl-2-morpholin-4-ylpropanamide
CID 127000284
oxolane;propan-2-one
CID 22559816
CID 11332047
CID 11332047
1-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)ethanone
CID 10335257
1-(1,4,7,10,13,16,19-heptaoxa-22-azacyclotetracos-22-yl)ethanone
CID 20707611
1-(1,4,7-trioxa-10-azacyclododec-10-yl)ethanone
CID 949153
N-(propan-2-ylideneamino)morpholine-4-carboxamide
CID 130660233

Frequently Asked Questions

What is the IUPAC name of chlorocobalt(1+);morpholin-4-ide;bis(N-(3-nitrosobut-2-en-2-yl)hydroxylamine)?
The IUPAC name of chlorocobalt(1+);morpholin-4-ide;bis(N-(3-nitrosobut-2-en-2-yl)hydroxylamine) (CID 5259603) is chlorocobalt(1+);morpholin-4-ide;bis(N-(3-nitrosobut-2-en-2-yl)hydroxylamine).
What is the SMILES notation for chlorocobalt(1+);morpholin-4-ide;bis(N-(3-nitrosobut-2-en-2-yl)hydroxylamine)?
The canonical SMILES for chlorocobalt(1+);morpholin-4-ide;bis(N-(3-nitrosobut-2-en-2-yl)hydroxylamine) is C1COCC[N-]1.CC(N=O)=C(C)NO.CC(N=O)=C(C)NO.Cl[Co+].
What is the InChIKey of chlorocobalt(1+);morpholin-4-ide;bis(N-(3-nitrosobut-2-en-2-yl)hydroxylamine)?
The InChIKey is DLOGSZLEYWZXKF-UHFFFAOYSA-M. The full InChI is InChI=1S/2C4H8N2O2.C4H8NO.ClH.Co/c2*1-3(5-7)4(2)6-8;1-3-6-4-2-5-1;;/h2*5,7H,1-2H3;1-4H2;1H;/q;;-1;;+2/p-1.
What are the key properties of chlorocobalt(1+);morpholin-4-ide;bis(N-(3-nitrosobut-2-en-2-yl)hydroxylamine)?
chlorocobalt(1+);morpholin-4-ide;bis(N-(3-nitrosobut-2-en-2-yl)hydroxylamine) has a molecular weight of 412.74 g/mol, XLogP of 3.04, 4 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for chlorocobalt(1+);morpholin-4-ide;bis(N-(3-nitrosobut-2-en-2-yl)hydroxylamine) is sourced from PubChem (CID 5259603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).