CID 157233017

C8H5KNNaO2 — CID 157233017

IUPAC—
SMILESO=C1NC(=O)c2ccccc21.[K].[Na]
InChIInChI=1S/C8H5NO2.K.Na/c10-7-5-3-1-2-4-6(5)8(11)9-7;;/h1-4H,(H,9,10,11);;
InChIKeyAUHXAWAQSYIGPB-UHFFFAOYSA-N
MW209.22 g/mol
LogP-0.19
Rot. Bonds

About CID 157233017

CID 157233017 (PubChem CID 157233017) has the molecular formula C8H5KNNaO2 and a molecular weight of 209.22 g/mol.

Molecular Properties

Compound NameCID 157233017
PubChem CID157233017
Molecular FormulaC8H5KNNaO2
Molecular Weight209.22 g/mol
Exact Mass208.99
IUPAC Name—
SMILESO=C1NC(=O)c2ccccc21.[K].[Na]
InChIInChI=1S/C8H5NO2.K.Na/c10-7-5-3-1-2-4-6(5)8(11)9-7;;/h1-4H,(H,9,10,11);;
InChIKeyAUHXAWAQSYIGPB-UHFFFAOYSA-N
XLogP-0.19
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.22
LogP ≤ 5-0.19
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 157233017?
The IUPAC name of CID 157233017 (CID 157233017) is not available.
What is the SMILES notation for CID 157233017?
The canonical SMILES for CID 157233017 is O=C1NC(=O)c2ccccc21.[K].[Na].
What is the InChIKey of CID 157233017?
The InChIKey is AUHXAWAQSYIGPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5NO2.K.Na/c10-7-5-3-1-2-4-6(5)8(11)9-7;;/h1-4H,(H,9,10,11);;.
What are the key properties of CID 157233017?
CID 157233017 has a molecular weight of 209.22 g/mol, XLogP of -0.19, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 157233017 is sourced from PubChem (CID 157233017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).