CID 67588268

C5H7NNa3O — CID 67588268

IUPAC—
SMILESNC1C=CC=CO1.[Na].[Na].[Na]
InChIInChI=1S/C5H7NO.3Na/c6-5-3-1-2-4-7-5;;;/h1-5H,6H2;;;
InChIKeySTIBPCROOWGEQC-UHFFFAOYSA-N
MW166.09 g/mol
LogP-0.77
Rot. Bonds

About CID 67588268

CID 67588268 (PubChem CID 67588268) has the molecular formula C5H7NNa3O and a molecular weight of 166.09 g/mol.

Molecular Properties

Compound NameCID 67588268
PubChem CID67588268
Molecular FormulaC5H7NNa3O
Molecular Weight166.09 g/mol
Exact Mass166.02
IUPAC Name—
SMILESNC1C=CC=CO1.[Na].[Na].[Na]
InChIInChI=1S/C5H7NO.3Na/c6-5-3-1-2-4-7-5;;;/h1-5H,6H2;;;
InChIKeySTIBPCROOWGEQC-UHFFFAOYSA-N
XLogP-0.77
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.09
LogP ≤ 5-0.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze CID 67588268 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 67588268?
The IUPAC name of CID 67588268 (CID 67588268) is not available.
What is the SMILES notation for CID 67588268?
The canonical SMILES for CID 67588268 is NC1C=CC=CO1.[Na].[Na].[Na].
What is the InChIKey of CID 67588268?
The InChIKey is STIBPCROOWGEQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO.3Na/c6-5-3-1-2-4-7-5;;;/h1-5H,6H2;;;.
What are the key properties of CID 67588268?
CID 67588268 has a molecular weight of 166.09 g/mol, XLogP of -0.77, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 67588268 is sourced from PubChem (CID 67588268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).