carbanide;3-hydroxypentane-2,4-dione;nickel

C6H11NiO3- — CID 172555752

IUPACcarbanide;3-hydroxypentane-2,4-dione;nickel
SMILESCC(=O)C(O)C(C)=O.[CH3-].[Ni]
InChIInChI=1S/C5H8O3.CH3.Ni/c1-3(6)5(8)4(2)7;;/h5,8H,1-2H3;1H3;/q;-1;
InChIKeyOPBTYSKWOUPAFL-UHFFFAOYSA-N
MW189.84 g/mol
LogP-0.03
Rot. Bonds2

About carbanide;3-hydroxypentane-2,4-dione;nickel

carbanide;3-hydroxypentane-2,4-dione;nickel (PubChem CID 172555752) has the molecular formula C6H11NiO3- and a molecular weight of 189.84 g/mol. Its IUPAC name is carbanide;3-hydroxypentane-2,4-dione;nickel.

Molecular Properties

Compound Namecarbanide;3-hydroxypentane-2,4-dione;nickel
PubChem CID172555752
Molecular FormulaC6H11NiO3-
Molecular Weight189.84 g/mol
Exact Mass189.01
IUPAC Namecarbanide;3-hydroxypentane-2,4-dione;nickel
SMILESCC(=O)C(O)C(C)=O.[CH3-].[Ni]
InChIInChI=1S/C5H8O3.CH3.Ni/c1-3(6)5(8)4(2)7;;/h5,8H,1-2H3;1H3;/q;-1;
InChIKeyOPBTYSKWOUPAFL-UHFFFAOYSA-N
XLogP-0.03
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.84
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

3-hydroxypentane-2,4-dione;zinc
CID 171785391
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CID 45085131
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CID 151788502
3-hydroxyheptane-2,4-dione
CID 102113596
nickel;tris(propan-2-one)
CID 175333114
(3S)-3-hydroxybutan-2-one;3-methylbutan-2-one
CID 161241021
acetic acid;methanetriol
CID 174483633
bis(1,1-dihydroxypropan-2-one);phosphoric acid
CID 87667441
propan-2-one;sulfur monoxide
CID 21387950
3-acetylpentane-2,4-dione;hafnium
CID 87389102
1,1-dichloropropan-2-one
CID 10567
carbanide;3-methanidylbutan-2-one;oxocobalt
CID 173489381

Frequently Asked Questions

What is the IUPAC name of carbanide;3-hydroxypentane-2,4-dione;nickel?
The IUPAC name of carbanide;3-hydroxypentane-2,4-dione;nickel (CID 172555752) is carbanide;3-hydroxypentane-2,4-dione;nickel.
What is the SMILES notation for carbanide;3-hydroxypentane-2,4-dione;nickel?
The canonical SMILES for carbanide;3-hydroxypentane-2,4-dione;nickel is CC(=O)C(O)C(C)=O.[CH3-].[Ni].
What is the InChIKey of carbanide;3-hydroxypentane-2,4-dione;nickel?
The InChIKey is OPBTYSKWOUPAFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O3.CH3.Ni/c1-3(6)5(8)4(2)7;;/h5,8H,1-2H3;1H3;/q;-1;.
What are the key properties of carbanide;3-hydroxypentane-2,4-dione;nickel?
carbanide;3-hydroxypentane-2,4-dione;nickel has a molecular weight of 189.84 g/mol, XLogP of -0.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;3-hydroxypentane-2,4-dione;nickel is sourced from PubChem (CID 172555752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).