CID 70602235

C12H12K2N2O3 — CID 70602235

IUPAC—
SMILESO=C1CC(=O)N(CCc2ccccc2)C(=O)N1.[K].[K]
InChIInChI=1S/C12H12N2O3.2K/c15-10-8-11(16)14(12(17)13-10)7-6-9-4-2-1-3-5-9;;/h1-5H,6-8H2,(H,13,15,17);;
InChIKeyYCJVQZVTFUYTJZ-UHFFFAOYSA-N
MW310.43 g/mol
LogP-0.06
Rot. Bonds3

About CID 70602235

CID 70602235 (PubChem CID 70602235) has the molecular formula C12H12K2N2O3 and a molecular weight of 310.43 g/mol.

Molecular Properties

Compound NameCID 70602235
PubChem CID70602235
Molecular FormulaC12H12K2N2O3
Molecular Weight310.43 g/mol
Exact Mass310.01
IUPAC Name—
SMILESO=C1CC(=O)N(CCc2ccccc2)C(=O)N1.[K].[K]
InChIInChI=1S/C12H12N2O3.2K/c15-10-8-11(16)14(12(17)13-10)7-6-9-4-2-1-3-5-9;;/h1-5H,6-8H2,(H,13,15,17);;
InChIKeyYCJVQZVTFUYTJZ-UHFFFAOYSA-N
XLogP-0.06
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.43
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 70602235?
The IUPAC name of CID 70602235 (CID 70602235) is not available.
What is the SMILES notation for CID 70602235?
The canonical SMILES for CID 70602235 is O=C1CC(=O)N(CCc2ccccc2)C(=O)N1.[K].[K].
What is the InChIKey of CID 70602235?
The InChIKey is YCJVQZVTFUYTJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3.2K/c15-10-8-11(16)14(12(17)13-10)7-6-9-4-2-1-3-5-9;;/h1-5H,6-8H2,(H,13,15,17);;.
What are the key properties of CID 70602235?
CID 70602235 has a molecular weight of 310.43 g/mol, XLogP of -0.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 70602235 is sourced from PubChem (CID 70602235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).