CID 171639060

C5H9N2O2Pb — CID 171639060

IUPAC—
SMILESCNC(=O)C(C[Pb])NC=O
InChIInChI=1S/C5H9N2O2.Pb/c1-4(7-3-8)5(9)6-2;/h3-4H,1H2,2H3,(H,6,9)(H,7,8);
InChIKeyKLIODLSQTUWMKA-UHFFFAOYSA-N
MW336.34 g/mol
LogP-1.57
Rot. Bonds4

About CID 171639060

CID 171639060 (PubChem CID 171639060) has the molecular formula C5H9N2O2Pb and a molecular weight of 336.34 g/mol.

Molecular Properties

Compound NameCID 171639060
PubChem CID171639060
Molecular FormulaC5H9N2O2Pb
Molecular Weight336.34 g/mol
Exact Mass337.04
IUPAC Name—
SMILESCNC(=O)C(C[Pb])NC=O
InChIInChI=1S/C5H9N2O2.Pb/c1-4(7-3-8)5(9)6-2;/h3-4H,1H2,2H3,(H,6,9)(H,7,8);
InChIKeyKLIODLSQTUWMKA-UHFFFAOYSA-N
XLogP-1.57
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.34
LogP ≤ 5-1.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 171639060?
The IUPAC name of CID 171639060 (CID 171639060) is not available.
What is the SMILES notation for CID 171639060?
The canonical SMILES for CID 171639060 is CNC(=O)C(C[Pb])NC=O.
What is the InChIKey of CID 171639060?
The InChIKey is KLIODLSQTUWMKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N2O2.Pb/c1-4(7-3-8)5(9)6-2;/h3-4H,1H2,2H3,(H,6,9)(H,7,8);.
What are the key properties of CID 171639060?
CID 171639060 has a molecular weight of 336.34 g/mol, XLogP of -1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 171639060 is sourced from PubChem (CID 171639060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).