CID 67233644

C4H4N2NaO3 — CID 67233644

IUPAC—
SMILESO=C1CC(=O)NC(=O)N1.[Na]
InChIInChI=1S/C4H4N2O3.Na/c7-2-1-3(8)6-4(9)5-2;/h1H2,(H2,5,6,7,8,9);
InChIKeyHRYZPBSOAMTFEL-UHFFFAOYSA-N
MW151.08 g/mol
LogP-1.64
Rot. Bonds

About CID 67233644

CID 67233644 (PubChem CID 67233644) has the molecular formula C4H4N2NaO3 and a molecular weight of 151.08 g/mol.

Molecular Properties

Compound NameCID 67233644
PubChem CID67233644
Molecular FormulaC4H4N2NaO3
Molecular Weight151.08 g/mol
Exact Mass151.01
IUPAC Name—
SMILESO=C1CC(=O)NC(=O)N1.[Na]
InChIInChI=1S/C4H4N2O3.Na/c7-2-1-3(8)6-4(9)5-2;/h1H2,(H2,5,6,7,8,9);
InChIKeyHRYZPBSOAMTFEL-UHFFFAOYSA-N
XLogP-1.64
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.08
LogP ≤ 5-1.64
H-Bond Donors ≤ 52
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 67233644?
The IUPAC name of CID 67233644 (CID 67233644) is not available.
What is the SMILES notation for CID 67233644?
The canonical SMILES for CID 67233644 is O=C1CC(=O)NC(=O)N1.[Na].
What is the InChIKey of CID 67233644?
The InChIKey is HRYZPBSOAMTFEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N2O3.Na/c7-2-1-3(8)6-4(9)5-2;/h1H2,(H2,5,6,7,8,9);.
What are the key properties of CID 67233644?
CID 67233644 has a molecular weight of 151.08 g/mol, XLogP of -1.64, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 67233644 is sourced from PubChem (CID 67233644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).