(Z)-4-hydroxypent-3-en-2-one;4-hydroxypent-4-en-2-one;nickel

C10H16NiO4 — CID 134991998

IUPAC(Z)-4-hydroxypent-3-en-2-one;4-hydroxypent-4-en-2-one;nickel
SMILESC=C(O)CC(C)=O.CC(=O)/C=C(/C)O.[Ni]
InChIInChI=1S/2C5H8O2.Ni/c2*1-4(6)3-5(2)7;/h3,6H,1-2H3;6H,1,3H2,2H3;/b4-3-;;
InChIKeyBGKPJVSYMMSLIM-GSBNXNDCSA-N
MW258.93 g/mol
LogP2.07
Rot. Bonds3

About (Z)-4-hydroxypent-3-en-2-one;4-hydroxypent-4-en-2-one;nickel

(Z)-4-hydroxypent-3-en-2-one;4-hydroxypent-4-en-2-one;nickel (PubChem CID 134991998) has the molecular formula C10H16NiO4 and a molecular weight of 258.93 g/mol. Its IUPAC name is (Z)-4-hydroxypent-3-en-2-one;4-hydroxypent-4-en-2-one;nickel.

Molecular Properties

Compound Name(Z)-4-hydroxypent-3-en-2-one;4-hydroxypent-4-en-2-one;nickel
PubChem CID134991998
Molecular FormulaC10H16NiO4
Molecular Weight258.93 g/mol
Exact Mass258.04
IUPAC Name(Z)-4-hydroxypent-3-en-2-one;4-hydroxypent-4-en-2-one;nickel
SMILESC=C(O)CC(C)=O.CC(=O)/C=C(/C)O.[Ni]
InChIInChI=1S/2C5H8O2.Ni/c2*1-4(6)3-5(2)7;/h3,6H,1-2H3;6H,1,3H2,2H3;/b4-3-;;
InChIKeyBGKPJVSYMMSLIM-GSBNXNDCSA-N
XLogP2.07
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.93
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-hydroxypent-3-en-2-one;4-hydroxypent-4-en-2-one;nickel?
The IUPAC name of (Z)-4-hydroxypent-3-en-2-one;4-hydroxypent-4-en-2-one;nickel (CID 134991998) is (Z)-4-hydroxypent-3-en-2-one;4-hydroxypent-4-en-2-one;nickel.
What is the SMILES notation for (Z)-4-hydroxypent-3-en-2-one;4-hydroxypent-4-en-2-one;nickel?
The canonical SMILES for (Z)-4-hydroxypent-3-en-2-one;4-hydroxypent-4-en-2-one;nickel is C=C(O)CC(C)=O.CC(=O)/C=C(/C)O.[Ni].
What is the InChIKey of (Z)-4-hydroxypent-3-en-2-one;4-hydroxypent-4-en-2-one;nickel?
The InChIKey is BGKPJVSYMMSLIM-GSBNXNDCSA-N. The full InChI is InChI=1S/2C5H8O2.Ni/c2*1-4(6)3-5(2)7;/h3,6H,1-2H3;6H,1,3H2,2H3;/b4-3-;;.
What are the key properties of (Z)-4-hydroxypent-3-en-2-one;4-hydroxypent-4-en-2-one;nickel?
(Z)-4-hydroxypent-3-en-2-one;4-hydroxypent-4-en-2-one;nickel has a molecular weight of 258.93 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-hydroxypent-3-en-2-one;4-hydroxypent-4-en-2-one;nickel is sourced from PubChem (CID 134991998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).