cobalt;(Z)-4-(4-hydroxyanilino)-4-oxobut-2-enoic acid

C10H9CoNO4 — CID 67574152

IUPACcobalt;(Z)-4-(4-hydroxyanilino)-4-oxobut-2-enoic acid
SMILESO=C(O)/C=C\C(=O)Nc1ccc(O)cc1.[Co]
InChIInChI=1S/C10H9NO4.Co/c12-8-3-1-7(2-4-8)11-9(13)5-6-10(14)15;/h1-6,12H,(H,11,13)(H,14,15);/b6-5-;
InChIKeyXQKPORSNYSRJIE-YSMBQZINSA-N
MW266.12 g/mol
LogP0.97
Rot. Bonds3

About cobalt;(Z)-4-(4-hydroxyanilino)-4-oxobut-2-enoic acid

cobalt;(Z)-4-(4-hydroxyanilino)-4-oxobut-2-enoic acid (PubChem CID 67574152) has the molecular formula C10H9CoNO4 and a molecular weight of 266.12 g/mol. Its IUPAC name is cobalt;(Z)-4-(4-hydroxyanilino)-4-oxobut-2-enoic acid.

Molecular Properties

Compound Namecobalt;(Z)-4-(4-hydroxyanilino)-4-oxobut-2-enoic acid
PubChem CID67574152
Molecular FormulaC10H9CoNO4
Molecular Weight266.12 g/mol
Exact Mass265.99
IUPAC Namecobalt;(Z)-4-(4-hydroxyanilino)-4-oxobut-2-enoic acid
SMILESO=C(O)/C=C\C(=O)Nc1ccc(O)cc1.[Co]
InChIInChI=1S/C10H9NO4.Co/c12-8-3-1-7(2-4-8)11-9(13)5-6-10(14)15;/h1-6,12H,(H,11,13)(H,14,15);/b6-5-;
InChIKeyXQKPORSNYSRJIE-YSMBQZINSA-N
XLogP0.97
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.12
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-N,N'-bis(4-hydroxyphenyl)but-2-enediamide
CID 5356642
N'-(4-hydroxyphenyl)but-2-enediamide
CID 54373747
(Z)-4-[4-[[4-[[(Z)-3-carboxyprop-2-enoyl]amino]phenyl]diselanyl]anilino]-4-oxobut-2-enoic acid
CID 118736424
(Z)-4-oxo-4-(4-sulfanylanilino)but-2-enoic acid
CID 70007709
(Z)-4-anilino-4-oxobut-2-enoic acid;lanthanum
CID 175590215
4-[4-(hydroxymethyl)anilino]-4-oxobut-2-enoic acid
CID 126969715
(Z)-4-[4-[4-[[(E)-3-carboxyprop-2-enoyl]amino]phenyl]sulfonylanilino]-4-oxobut-2-enoic acid
CID 92856125
sodium;4-(4-chloroanilino)-4-oxobut-2-enoic acid;hydride
CID 173448641
N-(4-hydroxyphenyl)-4-oxobut-2-enamide
CID 54364217
(E)-4-(4-benzoylanilino)-4-oxobut-2-enoic acid
CID 707781
4-[4-(carboxymethyl)anilino]-4-oxobut-2-enoic acid
CID 53395773
4-[4-(4-chlorophenyl)anilino]-4-oxobut-2-enoic acid
CID 745490

Frequently Asked Questions

What is the IUPAC name of cobalt;(Z)-4-(4-hydroxyanilino)-4-oxobut-2-enoic acid?
The IUPAC name of cobalt;(Z)-4-(4-hydroxyanilino)-4-oxobut-2-enoic acid (CID 67574152) is cobalt;(Z)-4-(4-hydroxyanilino)-4-oxobut-2-enoic acid.
What is the SMILES notation for cobalt;(Z)-4-(4-hydroxyanilino)-4-oxobut-2-enoic acid?
The canonical SMILES for cobalt;(Z)-4-(4-hydroxyanilino)-4-oxobut-2-enoic acid is O=C(O)/C=C\C(=O)Nc1ccc(O)cc1.[Co].
What is the InChIKey of cobalt;(Z)-4-(4-hydroxyanilino)-4-oxobut-2-enoic acid?
The InChIKey is XQKPORSNYSRJIE-YSMBQZINSA-N. The full InChI is InChI=1S/C10H9NO4.Co/c12-8-3-1-7(2-4-8)11-9(13)5-6-10(14)15;/h1-6,12H,(H,11,13)(H,14,15);/b6-5-;.
What are the key properties of cobalt;(Z)-4-(4-hydroxyanilino)-4-oxobut-2-enoic acid?
cobalt;(Z)-4-(4-hydroxyanilino)-4-oxobut-2-enoic acid has a molecular weight of 266.12 g/mol, XLogP of 0.97, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt;(Z)-4-(4-hydroxyanilino)-4-oxobut-2-enoic acid is sourced from PubChem (CID 67574152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).