CID 132563427

C7H9NOZn- — CID 132563427

IUPAC—
SMILES[CH2]C.[O-]C=C1C=CC=N1.[Zn]
InChIInChI=1S/C5H5NO.C2H5.Zn/c7-4-5-2-1-3-6-5;1-2;/h1-4,7H;1H2,2H3;/p-1
InChIKeyGUEDYEFHJQJHMG-UHFFFAOYSA-M
MW188.54 g/mol
LogP0.67
Rot. Bonds

About CID 132563427

CID 132563427 (PubChem CID 132563427) has the molecular formula C7H9NOZn- and a molecular weight of 188.54 g/mol.

Molecular Properties

Compound NameCID 132563427
PubChem CID132563427
Molecular FormulaC7H9NOZn-
Molecular Weight188.54 g/mol
Exact Mass187.00
IUPAC Name—
SMILES[CH2]C.[O-]C=C1C=CC=N1.[Zn]
InChIInChI=1S/C5H5NO.C2H5.Zn/c7-4-5-2-1-3-6-5;1-2;/h1-4,7H;1H2,2H3;/p-1
InChIKeyGUEDYEFHJQJHMG-UHFFFAOYSA-M
XLogP0.67
TPSA35.42 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.54
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 132563427?
The IUPAC name of CID 132563427 (CID 132563427) is not available.
What is the SMILES notation for CID 132563427?
The canonical SMILES for CID 132563427 is [CH2]C.[O-]C=C1C=CC=N1.[Zn].
What is the InChIKey of CID 132563427?
The InChIKey is GUEDYEFHJQJHMG-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H5NO.C2H5.Zn/c7-4-5-2-1-3-6-5;1-2;/h1-4,7H;1H2,2H3;/p-1.
What are the key properties of CID 132563427?
CID 132563427 has a molecular weight of 188.54 g/mol, XLogP of 0.67, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 132563427 is sourced from PubChem (CID 132563427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).