bis(3-(1H-indol-3-yl)-2-oxopropanoate);lead(2+)

C22H16N2O6Pb — CID 87710054

IUPACbis(3-(1H-indol-3-yl)-2-oxopropanoate);lead(2+)
SMILESO=C([O-])C(=O)Cc1c[nH]c2ccccc12.O=C([O-])C(=O)Cc1c[nH]c2ccccc12.[Pb+2]
InChIInChI=1S/2C11H9NO3.Pb/c2*13-10(11(14)15)5-7-6-12-9-4-2-1-3-8(7)9;/h2*1-4,6,12H,5H2,(H,14,15);/q;;+2/p-2
InChIKeyFAKQFGSKAYXQMH-UHFFFAOYSA-L
MW611.58 g/mol
LogP-0.32
Rot. Bonds6

About bis(3-(1H-indol-3-yl)-2-oxopropanoate);lead(2+)

bis(3-(1H-indol-3-yl)-2-oxopropanoate);lead(2+) (PubChem CID 87710054) has the molecular formula C22H16N2O6Pb and a molecular weight of 611.58 g/mol. Its IUPAC name is bis(3-(1H-indol-3-yl)-2-oxopropanoate);lead(2+).

Molecular Properties

Compound Namebis(3-(1H-indol-3-yl)-2-oxopropanoate);lead(2+)
PubChem CID87710054
Molecular FormulaC22H16N2O6Pb
Molecular Weight611.58 g/mol
Exact Mass612.08
IUPAC Namebis(3-(1H-indol-3-yl)-2-oxopropanoate);lead(2+)
SMILESO=C([O-])C(=O)Cc1c[nH]c2ccccc12.O=C([O-])C(=O)Cc1c[nH]c2ccccc12.[Pb+2]
InChIInChI=1S/2C11H9NO3.Pb/c2*13-10(11(14)15)5-7-6-12-9-4-2-1-3-8(7)9;/h2*1-4,6,12H,5H2,(H,14,15);/q;;+2/p-2
InChIKeyFAKQFGSKAYXQMH-UHFFFAOYSA-L
XLogP-0.32
TPSA145.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500611.58
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of bis(3-(1H-indol-3-yl)-2-oxopropanoate);lead(2+)?
The IUPAC name of bis(3-(1H-indol-3-yl)-2-oxopropanoate);lead(2+) (CID 87710054) is bis(3-(1H-indol-3-yl)-2-oxopropanoate);lead(2+).
What is the SMILES notation for bis(3-(1H-indol-3-yl)-2-oxopropanoate);lead(2+)?
The canonical SMILES for bis(3-(1H-indol-3-yl)-2-oxopropanoate);lead(2+) is O=C([O-])C(=O)Cc1c[nH]c2ccccc12.O=C([O-])C(=O)Cc1c[nH]c2ccccc12.[Pb+2].
What is the InChIKey of bis(3-(1H-indol-3-yl)-2-oxopropanoate);lead(2+)?
The InChIKey is FAKQFGSKAYXQMH-UHFFFAOYSA-L. The full InChI is InChI=1S/2C11H9NO3.Pb/c2*13-10(11(14)15)5-7-6-12-9-4-2-1-3-8(7)9;/h2*1-4,6,12H,5H2,(H,14,15);/q;;+2/p-2.
What are the key properties of bis(3-(1H-indol-3-yl)-2-oxopropanoate);lead(2+)?
bis(3-(1H-indol-3-yl)-2-oxopropanoate);lead(2+) has a molecular weight of 611.58 g/mol, XLogP of -0.32, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-(1H-indol-3-yl)-2-oxopropanoate);lead(2+) is sourced from PubChem (CID 87710054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).