azanide;cobalt;6-(2,5-dioxopyrrol-1-yl)-N-(propan-2-ylideneamino)hexanamide;propane

C16H37CoN8O3-5 — CID 160792988

IUPACazanide;cobalt;6-(2,5-dioxopyrrol-1-yl)-N-(propan-2-ylideneamino)hexanamide;propane
SMILESCC(C)=NNC(=O)CCCCCN1C(=O)C=CC1=O.CCC.[Co].[NH2-].[NH2-].[NH2-].[NH2-].[NH2-]
InChIInChI=1S/C13H19N3O3.C3H8.Co.5H2N/c1-10(2)14-15-11(17)6-4-3-5-9-16-12(18)7-8-13(16)19;1-3-2;;;;;;/h7-8H,3-6,9H2,1-2H3,(H,15,17);3H2,1-2H3;;5*1H2/q;;;5*-1
InChIKeyWITMKMMFOZAPBW-UHFFFAOYSA-N
MW448.46 g/mol
LogP5.98
Rot. Bonds7

About azanide;cobalt;6-(2,5-dioxopyrrol-1-yl)-N-(propan-2-ylideneamino)hexanamide;propane

azanide;cobalt;6-(2,5-dioxopyrrol-1-yl)-N-(propan-2-ylideneamino)hexanamide;propane (PubChem CID 160792988) has the molecular formula C16H37CoN8O3-5 and a molecular weight of 448.46 g/mol. Its IUPAC name is azanide;cobalt;6-(2,5-dioxopyrrol-1-yl)-N-(propan-2-ylideneamino)hexanamide;propane.

Molecular Properties

Compound Nameazanide;cobalt;6-(2,5-dioxopyrrol-1-yl)-N-(propan-2-ylideneamino)hexanamide;propane
PubChem CID160792988
Molecular FormulaC16H37CoN8O3-5
Molecular Weight448.46 g/mol
Exact Mass448.23
IUPAC Nameazanide;cobalt;6-(2,5-dioxopyrrol-1-yl)-N-(propan-2-ylideneamino)hexanamide;propane
SMILESCC(C)=NNC(=O)CCCCCN1C(=O)C=CC1=O.CCC.[Co].[NH2-].[NH2-].[NH2-].[NH2-].[NH2-]
InChIInChI=1S/C13H19N3O3.C3H8.Co.5H2N/c1-10(2)14-15-11(17)6-4-3-5-9-16-12(18)7-8-13(16)19;1-3-2;;;;;;/h7-8H,3-6,9H2,1-2H3,(H,15,17);3H2,1-2H3;;5*1H2/q;;;5*-1
InChIKeyWITMKMMFOZAPBW-UHFFFAOYSA-N
XLogP5.98
TPSA246.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.46
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

6-(2,5-dioxopyrrol-1-yl)-N-(propan-2-ylideneamino)hexanamide
CID 25001613
6-(2,5-dioxopyrrol-1-yl)-N-ethylhexanamide
CID 59811725
6-(2,5-dioxopyrrol-1-yl)-N-[(E)-1-(4-propan-2-ylphenyl)ethylideneamino]hexanamide
CID 138751819
5-(2,5-dioxopyrrol-1-yl)-N-ethylpentanamide;ethane
CID 145076729
ethane;1-(6-oxoheptyl)pyrrole-2,5-dione
CID 145323318
6-(2,5-dioxopyrrol-1-yl)-N-[(E)-2-(methyldisulfanyl)ethylideneamino]hexanamide
CID 126759100
6-(2,5-dioxopyrrol-1-yl)-N'-methylhexanehydrazide;molecular hydrogen
CID 169205494
ethene;1-(6-oxoheptyl)pyrrole-2,5-dione
CID 144940769
ethyl N-[3-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-2-hydroxypropyl]ethanimidate
CID 66709454
6-[6-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]hexanoylamino]-N-ethylhexanamide
CID 18724284
5-(2,5-dioxopyrrol-1-yl)pentanehydrazide;hydrochloride
CID 91667264
4-(2,5-dioxopyrrol-1-yl)-N-hexylbutanamide
CID 90175962

Frequently Asked Questions

What is the IUPAC name of azanide;cobalt;6-(2,5-dioxopyrrol-1-yl)-N-(propan-2-ylideneamino)hexanamide;propane?
The IUPAC name of azanide;cobalt;6-(2,5-dioxopyrrol-1-yl)-N-(propan-2-ylideneamino)hexanamide;propane (CID 160792988) is azanide;cobalt;6-(2,5-dioxopyrrol-1-yl)-N-(propan-2-ylideneamino)hexanamide;propane.
What is the SMILES notation for azanide;cobalt;6-(2,5-dioxopyrrol-1-yl)-N-(propan-2-ylideneamino)hexanamide;propane?
The canonical SMILES for azanide;cobalt;6-(2,5-dioxopyrrol-1-yl)-N-(propan-2-ylideneamino)hexanamide;propane is CC(C)=NNC(=O)CCCCCN1C(=O)C=CC1=O.CCC.[Co].[NH2-].[NH2-].[NH2-].[NH2-].[NH2-].
What is the InChIKey of azanide;cobalt;6-(2,5-dioxopyrrol-1-yl)-N-(propan-2-ylideneamino)hexanamide;propane?
The InChIKey is WITMKMMFOZAPBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3.C3H8.Co.5H2N/c1-10(2)14-15-11(17)6-4-3-5-9-16-12(18)7-8-13(16)19;1-3-2;;;;;;/h7-8H,3-6,9H2,1-2H3,(H,15,17);3H2,1-2H3;;5*1H2/q;;;5*-1.
What are the key properties of azanide;cobalt;6-(2,5-dioxopyrrol-1-yl)-N-(propan-2-ylideneamino)hexanamide;propane?
azanide;cobalt;6-(2,5-dioxopyrrol-1-yl)-N-(propan-2-ylideneamino)hexanamide;propane has a molecular weight of 448.46 g/mol, XLogP of 5.98, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azanide;cobalt;6-(2,5-dioxopyrrol-1-yl)-N-(propan-2-ylideneamino)hexanamide;propane is sourced from PubChem (CID 160792988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).