2H-pyran-2-id-4-one;zinc

C5H3O2Zn- — CID 138976200

IUPAC2H-pyran-2-id-4-one;zinc
SMILESO=c1c[c-]occ1.[Zn]
InChIInChI=1S/C5H3O2.Zn/c6-5-1-3-7-4-2-5;/h1-3H;/q-1;
InChIKeyANBXEEOWEMOWDZ-UHFFFAOYSA-N
MW160.47 g/mol
LogP0.44
Rot. Bonds

About 2H-pyran-2-id-4-one;zinc

2H-pyran-2-id-4-one;zinc (PubChem CID 138976200) has the molecular formula C5H3O2Zn- and a molecular weight of 160.47 g/mol. Its IUPAC name is 2H-pyran-2-id-4-one;zinc.

Molecular Properties

Compound Name2H-pyran-2-id-4-one;zinc
PubChem CID138976200
Molecular FormulaC5H3O2Zn-
Molecular Weight160.47 g/mol
Exact Mass158.94
IUPAC Name2H-pyran-2-id-4-one;zinc
SMILESO=c1c[c-]occ1.[Zn]
InChIInChI=1S/C5H3O2.Zn/c6-5-1-3-7-4-2-5;/h1-3H;/q-1;
InChIKeyANBXEEOWEMOWDZ-UHFFFAOYSA-N
XLogP0.44
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.47
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2H-pyran-2-id-4-one;zinc?
The IUPAC name of 2H-pyran-2-id-4-one;zinc (CID 138976200) is 2H-pyran-2-id-4-one;zinc.
What is the SMILES notation for 2H-pyran-2-id-4-one;zinc?
The canonical SMILES for 2H-pyran-2-id-4-one;zinc is O=c1c[c-]occ1.[Zn].
What is the InChIKey of 2H-pyran-2-id-4-one;zinc?
The InChIKey is ANBXEEOWEMOWDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3O2.Zn/c6-5-1-3-7-4-2-5;/h1-3H;/q-1;.
What are the key properties of 2H-pyran-2-id-4-one;zinc?
2H-pyran-2-id-4-one;zinc has a molecular weight of 160.47 g/mol, XLogP of 0.44, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-pyran-2-id-4-one;zinc is sourced from PubChem (CID 138976200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).