zinc bis(3-(1H-indol-3-ylmethylideneamino)propanoate)

C24H22N4O4Zn — CID 135870278

IUPACzinc bis(3-(1H-indol-3-ylmethylideneamino)propanoate)
SMILESO=C([O-])CC/N=C/c1c[nH]c2ccccc12.O=C([O-])CC/N=C/c1c[nH]c2ccccc12.[Zn+2]
InChIInChI=1S/2C12H12N2O2.Zn/c2*15-12(16)5-6-13-7-9-8-14-11-4-2-1-3-10(9)11;/h2*1-4,7-8,14H,5-6H2,(H,15,16);/q;;+2/p-2/b2*13-7+;
InChIKeyYAZDUCLUBJSGNO-CJYSFSJTSA-L
MW495.85 g/mol
LogP1.45
Rot. Bonds8

About zinc bis(3-(1H-indol-3-ylmethylideneamino)propanoate)

zinc bis(3-(1H-indol-3-ylmethylideneamino)propanoate) (PubChem CID 135870278) has the molecular formula C24H22N4O4Zn and a molecular weight of 495.85 g/mol. Its IUPAC name is zinc bis(3-(1H-indol-3-ylmethylideneamino)propanoate).

Molecular Properties

Compound Namezinc bis(3-(1H-indol-3-ylmethylideneamino)propanoate)
PubChem CID135870278
Molecular FormulaC24H22N4O4Zn
Molecular Weight495.85 g/mol
Exact Mass494.09
IUPAC Namezinc bis(3-(1H-indol-3-ylmethylideneamino)propanoate)
SMILESO=C([O-])CC/N=C/c1c[nH]c2ccccc12.O=C([O-])CC/N=C/c1c[nH]c2ccccc12.[Zn+2]
InChIInChI=1S/2C12H12N2O2.Zn/c2*15-12(16)5-6-13-7-9-8-14-11-4-2-1-3-10(9)11;/h2*1-4,7-8,14H,5-6H2,(H,15,16);/q;;+2/p-2/b2*13-7+;
InChIKeyYAZDUCLUBJSGNO-CJYSFSJTSA-L
XLogP1.45
TPSA136.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.85
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-1H-indol-3-ylmethylideneamino]-N'-[(Z)-1H-indol-3-ylmethylideneamino]butanediamide
CID 136861417
N-(1H-indol-3-ylmethylideneamino)-N'-[(E)-1H-indol-3-ylmethylideneamino]oxamide
CID 135810504
1-hydroxy-3-(1H-indol-3-ylmethylideneamino)urea
CID 137212579
N-(1H-indol-3-ylmethylideneamino)hexadecanamide
CID 136905846
N-(1H-indol-3-ylmethylideneamino)benzamide
CID 678357
N-benzyl-N'-(1H-indol-3-ylmethylideneamino)butanediamide
CID 3422533
1-(1H-indol-3-yl)-N-[4-[2-[4-(1H-indol-3-ylmethylideneamino)phenyl]ethyl]phenyl]methanimine
CID 177388523
(2S)-3-(1H-indol-3-yl)-2-(1H-indol-3-ylmethylideneamino)propanoic acid
CID 135407769
(2Z)-2-[(E)-1H-indol-3-ylmethylidenehydrazinylidene]-1,2-diphenylethanone
CID 135583243
4-amino-N-[(Z)-1H-indol-3-ylmethylideneamino]benzamide
CID 136851986
N'-[(E)-1H-indol-3-ylmethylideneamino]-N-methyloxamide
CID 135814043
(2S)-N-[(Z)-1H-indol-3-ylmethylideneamino]-2-(naphthalen-1-ylamino)propanamide
CID 136720604

Frequently Asked Questions

What is the IUPAC name of zinc bis(3-(1H-indol-3-ylmethylideneamino)propanoate)?
The IUPAC name of zinc bis(3-(1H-indol-3-ylmethylideneamino)propanoate) (CID 135870278) is zinc bis(3-(1H-indol-3-ylmethylideneamino)propanoate).
What is the SMILES notation for zinc bis(3-(1H-indol-3-ylmethylideneamino)propanoate)?
The canonical SMILES for zinc bis(3-(1H-indol-3-ylmethylideneamino)propanoate) is O=C([O-])CC/N=C/c1c[nH]c2ccccc12.O=C([O-])CC/N=C/c1c[nH]c2ccccc12.[Zn+2].
What is the InChIKey of zinc bis(3-(1H-indol-3-ylmethylideneamino)propanoate)?
The InChIKey is YAZDUCLUBJSGNO-CJYSFSJTSA-L. The full InChI is InChI=1S/2C12H12N2O2.Zn/c2*15-12(16)5-6-13-7-9-8-14-11-4-2-1-3-10(9)11;/h2*1-4,7-8,14H,5-6H2,(H,15,16);/q;;+2/p-2/b2*13-7+;.
What are the key properties of zinc bis(3-(1H-indol-3-ylmethylideneamino)propanoate)?
zinc bis(3-(1H-indol-3-ylmethylideneamino)propanoate) has a molecular weight of 495.85 g/mol, XLogP of 1.45, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for zinc bis(3-(1H-indol-3-ylmethylideneamino)propanoate) is sourced from PubChem (CID 135870278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).