(E)-2,3-bis[(2-hydroxyphenyl)methylideneamino]but-2-enedinitrile;nickel

C18H12N4NiO2 — CID 137196046

IUPAC(E)-2,3-bis[(2-hydroxyphenyl)methylideneamino]but-2-enedinitrile;nickel
SMILESN#CC(/N=C/c1ccccc1O)=C(C#N)\N=C\c1ccccc1O.[Ni]
InChIInChI=1S/C18H12N4O2.Ni/c19-9-15(21-11-13-5-1-3-7-17(13)23)16(10-20)22-12-14-6-2-4-8-18(14)24;/h1-8,11-12,23-24H;/b16-15+,21-11+,22-12+;
InChIKeyZKPYUSRFPPDIFO-MFNAOCHNSA-N
MW375.01 g/mol
LogP2.89
Rot. Bonds4

About (E)-2,3-bis[(2-hydroxyphenyl)methylideneamino]but-2-enedinitrile;nickel

(E)-2,3-bis[(2-hydroxyphenyl)methylideneamino]but-2-enedinitrile;nickel (PubChem CID 137196046) has the molecular formula C18H12N4NiO2 and a molecular weight of 375.01 g/mol. Its IUPAC name is (E)-2,3-bis[(2-hydroxyphenyl)methylideneamino]but-2-enedinitrile;nickel.

Molecular Properties

Compound Name(E)-2,3-bis[(2-hydroxyphenyl)methylideneamino]but-2-enedinitrile;nickel
PubChem CID137196046
Molecular FormulaC18H12N4NiO2
Molecular Weight375.01 g/mol
Exact Mass374.03
IUPAC Name(E)-2,3-bis[(2-hydroxyphenyl)methylideneamino]but-2-enedinitrile;nickel
SMILESN#CC(/N=C/c1ccccc1O)=C(C#N)\N=C\c1ccccc1O.[Ni]
InChIInChI=1S/C18H12N4O2.Ni/c19-9-15(21-11-13-5-1-3-7-17(13)23)16(10-20)22-12-14-6-2-4-8-18(14)24;/h1-8,11-12,23-24H;/b16-15+,21-11+,22-12+;
InChIKeyZKPYUSRFPPDIFO-MFNAOCHNSA-N
XLogP2.89
TPSA112.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.01
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-[1-[(2-hydroxyphenyl)methylideneamino]prop-1-enyliminomethyl]phenol
CID 173045611
2,3-bis[[2-hydroxy-4-[(2-methylpropan-2-yl)oxy]phenyl]methylideneamino]but-2-enedinitrile
CID 158026407
copper;2-[(E)-hydrazinylidenemethyl]phenol;hydrate
CID 137286073
2-[(2-hydroxyphenyl)methylidene]propanedinitrile
CID 23409
copper 2-[(E)-hydroxyiminomethyl]phenol
CID 135422084
zinc 2-(methyliminomethyl)phenol
CID 135422153
cobalt;bis(2-(hydroxyiminomethyl)phenol)
CID 158420458
ethane;2-(methyliminomethyl)phenol
CID 136650397
2-[(E)-fluoroiminomethyl]phenol
CID 137273576
cobalt;2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol;hydrate
CID 135442959
2-[[2-[(2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol;vanadium;hydrate
CID 171376264
chromium;bis(2-[[2-[(2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol);hydrate
CID 139236258

Frequently Asked Questions

What is the IUPAC name of (E)-2,3-bis[(2-hydroxyphenyl)methylideneamino]but-2-enedinitrile;nickel?
The IUPAC name of (E)-2,3-bis[(2-hydroxyphenyl)methylideneamino]but-2-enedinitrile;nickel (CID 137196046) is (E)-2,3-bis[(2-hydroxyphenyl)methylideneamino]but-2-enedinitrile;nickel.
What is the SMILES notation for (E)-2,3-bis[(2-hydroxyphenyl)methylideneamino]but-2-enedinitrile;nickel?
The canonical SMILES for (E)-2,3-bis[(2-hydroxyphenyl)methylideneamino]but-2-enedinitrile;nickel is N#CC(/N=C/c1ccccc1O)=C(C#N)\N=C\c1ccccc1O.[Ni].
What is the InChIKey of (E)-2,3-bis[(2-hydroxyphenyl)methylideneamino]but-2-enedinitrile;nickel?
The InChIKey is ZKPYUSRFPPDIFO-MFNAOCHNSA-N. The full InChI is InChI=1S/C18H12N4O2.Ni/c19-9-15(21-11-13-5-1-3-7-17(13)23)16(10-20)22-12-14-6-2-4-8-18(14)24;/h1-8,11-12,23-24H;/b16-15+,21-11+,22-12+;.
What are the key properties of (E)-2,3-bis[(2-hydroxyphenyl)methylideneamino]but-2-enedinitrile;nickel?
(E)-2,3-bis[(2-hydroxyphenyl)methylideneamino]but-2-enedinitrile;nickel has a molecular weight of 375.01 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,3-bis[(2-hydroxyphenyl)methylideneamino]but-2-enedinitrile;nickel is sourced from PubChem (CID 137196046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).