CID 157384744

C4H5NO2Pb — CID 157384744

IUPAC—
SMILESO=C1CCC(=O)N1.[Pb]
InChIInChI=1S/C4H5NO2.Pb/c6-3-1-2-4(7)5-3;/h1-2H2,(H,5,6,7);
InChIKeyBLHKPRQXYZMBKB-UHFFFAOYSA-N
MW306.29 g/mol
LogP-0.96
Rot. Bonds

About CID 157384744

CID 157384744 (PubChem CID 157384744) has the molecular formula C4H5NO2Pb and a molecular weight of 306.29 g/mol.

Molecular Properties

Compound NameCID 157384744
PubChem CID157384744
Molecular FormulaC4H5NO2Pb
Molecular Weight306.29 g/mol
Exact Mass307.01
IUPAC Name—
SMILESO=C1CCC(=O)N1.[Pb]
InChIInChI=1S/C4H5NO2.Pb/c6-3-1-2-4(7)5-3;/h1-2H2,(H,5,6,7);
InChIKeyBLHKPRQXYZMBKB-UHFFFAOYSA-N
XLogP-0.96
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.29
LogP ≤ 5-0.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 157384744?
The IUPAC name of CID 157384744 (CID 157384744) is not available.
What is the SMILES notation for CID 157384744?
The canonical SMILES for CID 157384744 is O=C1CCC(=O)N1.[Pb].
What is the InChIKey of CID 157384744?
The InChIKey is BLHKPRQXYZMBKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NO2.Pb/c6-3-1-2-4(7)5-3;/h1-2H2,(H,5,6,7);.
What are the key properties of CID 157384744?
CID 157384744 has a molecular weight of 306.29 g/mol, XLogP of -0.96, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 157384744 is sourced from PubChem (CID 157384744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).