furan-2-carbaldehyde;nickel

C5H4NiO2 — CID 174724529

IUPACfuran-2-carbaldehyde;nickel
SMILESO=Cc1ccco1.[Ni]
InChIInChI=1S/C5H4O2.Ni/c6-4-5-2-1-3-7-5;/h1-4H;
InChIKeyVZGHGVLYKJSRFC-UHFFFAOYSA-N
MW154.78 g/mol
LogP1.09
Rot. Bonds1

About furan-2-carbaldehyde;nickel

furan-2-carbaldehyde;nickel (PubChem CID 174724529) has the molecular formula C5H4NiO2 and a molecular weight of 154.78 g/mol. Its IUPAC name is furan-2-carbaldehyde;nickel.

Molecular Properties

Compound Namefuran-2-carbaldehyde;nickel
PubChem CID174724529
Molecular FormulaC5H4NiO2
Molecular Weight154.78 g/mol
Exact Mass153.96
IUPAC Namefuran-2-carbaldehyde;nickel
SMILESO=Cc1ccco1.[Ni]
InChIInChI=1S/C5H4O2.Ni/c6-4-5-2-1-3-7-5;/h1-4H;
InChIKeyVZGHGVLYKJSRFC-UHFFFAOYSA-N
XLogP1.09
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.78
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

furan-2-carbaldehyde
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CID 175710332
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azane;furan-2-carbaldehyde
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furan-2-carbaldehyde;methoxymethane
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furan-2-carbaldehyde phosphate
CID 20507502
CID 171374623
CID 171374623
furan-2-carbaldehyde;nitromethane
CID 23020378
formaldehyde;furan-2-carbaldehyde;propan-2-one
CID 159909330
1,1-dimethoxyethane;furan-2-carbaldehyde
CID 174905819
buta-1,3-diene;furan-2-carbaldehyde;prop-2-enenitrile
CID 88724069
cyclohexanol;furan-2-carbaldehyde
CID 163769843
ethoxymethoxymethoxyethane;furan-2-carbaldehyde
CID 87637713

Frequently Asked Questions

What is the IUPAC name of furan-2-carbaldehyde;nickel?
The IUPAC name of furan-2-carbaldehyde;nickel (CID 174724529) is furan-2-carbaldehyde;nickel.
What is the SMILES notation for furan-2-carbaldehyde;nickel?
The canonical SMILES for furan-2-carbaldehyde;nickel is O=Cc1ccco1.[Ni].
What is the InChIKey of furan-2-carbaldehyde;nickel?
The InChIKey is VZGHGVLYKJSRFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4O2.Ni/c6-4-5-2-1-3-7-5;/h1-4H;.
What are the key properties of furan-2-carbaldehyde;nickel?
furan-2-carbaldehyde;nickel has a molecular weight of 154.78 g/mol, XLogP of 1.09, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-carbaldehyde;nickel is sourced from PubChem (CID 174724529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).