1-(6-oxohexyl)pyrrole-2,5-dione;zinc

C10H12NO3Zn- — CID 175747190

IUPAC1-(6-oxohexyl)pyrrole-2,5-dione;zinc
SMILESO=[C-]CCCCCN1C(=O)C=CC1=O.[Zn]
InChIInChI=1S/C10H12NO3.Zn/c12-8-4-2-1-3-7-11-9(13)5-6-10(11)14;/h5-6H,1-4,7H2;/q-1;
InChIKeyURLYWHJHVPGEQY-UHFFFAOYSA-N
MW259.60 g/mol
LogP0.58
Rot. Bonds6

About 1-(6-oxohexyl)pyrrole-2,5-dione;zinc

1-(6-oxohexyl)pyrrole-2,5-dione;zinc (PubChem CID 175747190) has the molecular formula C10H12NO3Zn- and a molecular weight of 259.60 g/mol. Its IUPAC name is 1-(6-oxohexyl)pyrrole-2,5-dione;zinc.

Molecular Properties

Compound Name1-(6-oxohexyl)pyrrole-2,5-dione;zinc
PubChem CID175747190
Molecular FormulaC10H12NO3Zn-
Molecular Weight259.60 g/mol
Exact Mass258.01
IUPAC Name1-(6-oxohexyl)pyrrole-2,5-dione;zinc
SMILESO=[C-]CCCCCN1C(=O)C=CC1=O.[Zn]
InChIInChI=1S/C10H12NO3.Zn/c12-8-4-2-1-3-7-11-9(13)5-6-10(11)14;/h5-6H,1-4,7H2;/q-1;
InChIKeyURLYWHJHVPGEQY-UHFFFAOYSA-N
XLogP0.58
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.60
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(6-oxohexyl)pyrrole-2,5-dione;zinc?
The IUPAC name of 1-(6-oxohexyl)pyrrole-2,5-dione;zinc (CID 175747190) is 1-(6-oxohexyl)pyrrole-2,5-dione;zinc.
What is the SMILES notation for 1-(6-oxohexyl)pyrrole-2,5-dione;zinc?
The canonical SMILES for 1-(6-oxohexyl)pyrrole-2,5-dione;zinc is O=[C-]CCCCCN1C(=O)C=CC1=O.[Zn].
What is the InChIKey of 1-(6-oxohexyl)pyrrole-2,5-dione;zinc?
The InChIKey is URLYWHJHVPGEQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12NO3.Zn/c12-8-4-2-1-3-7-11-9(13)5-6-10(11)14;/h5-6H,1-4,7H2;/q-1;.
What are the key properties of 1-(6-oxohexyl)pyrrole-2,5-dione;zinc?
1-(6-oxohexyl)pyrrole-2,5-dione;zinc has a molecular weight of 259.60 g/mol, XLogP of 0.58, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-oxohexyl)pyrrole-2,5-dione;zinc is sourced from PubChem (CID 175747190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).