lithium;cobalt;bis((2E)-2-[(2-hydroxy-5-nitrophenyl)hydrazinylidene]-3-oxo-N-phenylbutanamide)

C32H28CoLiN8O10+ — CID 91809160

IUPAClithium;cobalt;bis((2E)-2-[(2-hydroxy-5-nitrophenyl)hydrazinylidene]-3-oxo-N-phenylbutanamide)
SMILESCC(=O)/C(=N\Nc1cc([N+](=O)[O-])ccc1O)C(=O)Nc1ccccc1.CC(=O)/C(=N\Nc1cc([N+](=O)[O-])ccc1O)C(=O)Nc1ccccc1.[Co].[Li+]
InChIInChI=1S/2C16H14N4O5.Co.Li/c2*1-10(21)15(16(23)17-11-5-3-2-4-6-11)19-18-13-9-12(20(24)25)7-8-14(13)22;;/h2*2-9,18,22H,1H3,(H,17,23);;/q;;;+1/b2*19-15+;;
InChIKeySFYSKIOABNMINM-FVXXSQRSSA-N
MW750.50 g/mol
LogP1.59
Rot. Bonds12

About lithium;cobalt;bis((2E)-2-[(2-hydroxy-5-nitrophenyl)hydrazinylidene]-3-oxo-N-phenylbutanamide)

lithium;cobalt;bis((2E)-2-[(2-hydroxy-5-nitrophenyl)hydrazinylidene]-3-oxo-N-phenylbutanamide) (PubChem CID 91809160) has the molecular formula C32H28CoLiN8O10+ and a molecular weight of 750.50 g/mol. Its IUPAC name is lithium;cobalt;bis((2E)-2-[(2-hydroxy-5-nitrophenyl)hydrazinylidene]-3-oxo-N-phenylbutanamide).

Molecular Properties

Compound Namelithium;cobalt;bis((2E)-2-[(2-hydroxy-5-nitrophenyl)hydrazinylidene]-3-oxo-N-phenylbutanamide)
PubChem CID91809160
Molecular FormulaC32H28CoLiN8O10+
Molecular Weight750.50 g/mol
Exact Mass750.14
IUPAC Namelithium;cobalt;bis((2E)-2-[(2-hydroxy-5-nitrophenyl)hydrazinylidene]-3-oxo-N-phenylbutanamide)
SMILESCC(=O)/C(=N\Nc1cc([N+](=O)[O-])ccc1O)C(=O)Nc1ccccc1.CC(=O)/C(=N\Nc1cc([N+](=O)[O-])ccc1O)C(=O)Nc1ccccc1.[Co].[Li+]
InChIInChI=1S/2C16H14N4O5.Co.Li/c2*1-10(21)15(16(23)17-11-5-3-2-4-6-11)19-18-13-9-12(20(24)25)7-8-14(13)22;;/h2*2-9,18,22H,1H3,(H,17,23);;/q;;;+1/b2*19-15+;;
InChIKeySFYSKIOABNMINM-FVXXSQRSSA-N
XLogP1.59
TPSA267.86 Ų
H-Bond Donors6
H-Bond Acceptors14
Rotatable Bonds12
Heavy Atoms52
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500750.50
LogP ≤ 51.59
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}

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Related Compounds

(2Z)-2-[[4-[4-[(2Z)-2-(1-anilino-1,3-dioxobutan-2-ylidene)hydrazinyl]-3-chlorophenyl]-2-chlorophenyl]hydrazinylidene]-3-oxo-N-phenylbutanamide;methanesulfonate
CID 172937867
(Z)-3-hydroxy-2-[(2-hydroxy-4-nitrophenyl)diazenyl]-N-phenylbut-2-enamide
CID 135941732
N-(2-hydroxy-5-nitrophenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 5069648
2-anilino-N-(4-nitrophenyl)-2-oxoethanehydrazonoyl bromide
CID 2771528
N'-[(2-hydroxy-5-nitrophenyl)methylideneamino]-N-phenyloxamide
CID 3817140
N-[(Z)-[(3Z)-4-anilino-3-hydroxyimino-4-oxobutan-2-ylidene]amino]-4-nitrobenzamide
CID 136861513
(E)-3-hydroxy-2-[(2-methoxy-4-nitrophenyl)diazenyl]-N-phenylbut-2-enamide
CID 166639984
2-bromo-N-(2-hydroxy-5-nitrophenyl)acetamide
CID 4089912
(2Z,3E)-2-hydroxyimino-3-oxidoimino-N-phenylbutanamide
CID 135764917
1-(2-methyl-5-nitrophenyl)-3-phenylthiourea
CID 686935
N-(2-acetyl-5-nitrophenyl)benzamide
CID 154214171
2-anilino-N-(4-nitrophenyl)-2-sulfanylideneacetamide
CID 17385609

Frequently Asked Questions

What is the IUPAC name of lithium;cobalt;bis((2E)-2-[(2-hydroxy-5-nitrophenyl)hydrazinylidene]-3-oxo-N-phenylbutanamide)?
The IUPAC name of lithium;cobalt;bis((2E)-2-[(2-hydroxy-5-nitrophenyl)hydrazinylidene]-3-oxo-N-phenylbutanamide) (CID 91809160) is lithium;cobalt;bis((2E)-2-[(2-hydroxy-5-nitrophenyl)hydrazinylidene]-3-oxo-N-phenylbutanamide).
What is the SMILES notation for lithium;cobalt;bis((2E)-2-[(2-hydroxy-5-nitrophenyl)hydrazinylidene]-3-oxo-N-phenylbutanamide)?
The canonical SMILES for lithium;cobalt;bis((2E)-2-[(2-hydroxy-5-nitrophenyl)hydrazinylidene]-3-oxo-N-phenylbutanamide) is CC(=O)/C(=N\Nc1cc([N+](=O)[O-])ccc1O)C(=O)Nc1ccccc1.CC(=O)/C(=N\Nc1cc([N+](=O)[O-])ccc1O)C(=O)Nc1ccccc1.[Co].[Li+].
What is the InChIKey of lithium;cobalt;bis((2E)-2-[(2-hydroxy-5-nitrophenyl)hydrazinylidene]-3-oxo-N-phenylbutanamide)?
The InChIKey is SFYSKIOABNMINM-FVXXSQRSSA-N. The full InChI is InChI=1S/2C16H14N4O5.Co.Li/c2*1-10(21)15(16(23)17-11-5-3-2-4-6-11)19-18-13-9-12(20(24)25)7-8-14(13)22;;/h2*2-9,18,22H,1H3,(H,17,23);;/q;;;+1/b2*19-15+;;.
What are the key properties of lithium;cobalt;bis((2E)-2-[(2-hydroxy-5-nitrophenyl)hydrazinylidene]-3-oxo-N-phenylbutanamide)?
lithium;cobalt;bis((2E)-2-[(2-hydroxy-5-nitrophenyl)hydrazinylidene]-3-oxo-N-phenylbutanamide) has a molecular weight of 750.50 g/mol, XLogP of 1.59, 12 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;cobalt;bis((2E)-2-[(2-hydroxy-5-nitrophenyl)hydrazinylidene]-3-oxo-N-phenylbutanamide) is sourced from PubChem (CID 91809160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).