CID 22088154

C5H11NO2PbW-3 — CID 22088154

IUPAC—
SMILES[CH2-]C(=O)O.[CH2-]N(C)[Pb].[CH3-].[W]
InChIInChI=1S/C2H5N.C2H3O2.CH3.Pb.W/c1-3-2;1-2(3)4;;;/h1H2,2H3;1H2,(H,3,4);1H3;;/q-2;2*-1;+1;
InChIKeyHQLFRXYPHOAHMW-UHFFFAOYSA-N
MW508.19 g/mol
LogP0.15
Rot. Bonds

About CID 22088154

CID 22088154 (PubChem CID 22088154) has the molecular formula C5H11NO2PbW-3 and a molecular weight of 508.19 g/mol.

Molecular Properties

Compound NameCID 22088154
PubChem CID22088154
Molecular FormulaC5H11NO2PbW-3
Molecular Weight508.19 g/mol
Exact Mass509.01
IUPAC Name—
SMILES[CH2-]C(=O)O.[CH2-]N(C)[Pb].[CH3-].[W]
InChIInChI=1S/C2H5N.C2H3O2.CH3.Pb.W/c1-3-2;1-2(3)4;;;/h1H2,2H3;1H2,(H,3,4);1H3;;/q-2;2*-1;+1;
InChIKeyHQLFRXYPHOAHMW-UHFFFAOYSA-N
XLogP0.15
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.19
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 22088154?
The IUPAC name of CID 22088154 (CID 22088154) is not available.
What is the SMILES notation for CID 22088154?
The canonical SMILES for CID 22088154 is [CH2-]C(=O)O.[CH2-]N(C)[Pb].[CH3-].[W].
What is the InChIKey of CID 22088154?
The InChIKey is HQLFRXYPHOAHMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5N.C2H3O2.CH3.Pb.W/c1-3-2;1-2(3)4;;;/h1H2,2H3;1H2,(H,3,4);1H3;;/q-2;2*-1;+1;.
What are the key properties of CID 22088154?
CID 22088154 has a molecular weight of 508.19 g/mol, XLogP of 0.15, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 22088154 is sourced from PubChem (CID 22088154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).