CID 172816698

C4H9NNa2O2 — CID 172816698

IUPAC—
SMILESCCOC(=O)CN.[Na].[Na]
InChIInChI=1S/C4H9NO2.2Na/c1-2-7-4(6)3-5;;/h2-3,5H2,1H3;;
InChIKeySXCPPYQURPIYKU-UHFFFAOYSA-N
MW149.10 g/mol
LogP-1.25
Rot. Bonds2

About CID 172816698

CID 172816698 (PubChem CID 172816698) has the molecular formula C4H9NNa2O2 and a molecular weight of 149.10 g/mol.

Molecular Properties

Compound NameCID 172816698
PubChem CID172816698
Molecular FormulaC4H9NNa2O2
Molecular Weight149.10 g/mol
Exact Mass149.04
IUPAC Name—
SMILESCCOC(=O)CN.[Na].[Na]
InChIInChI=1S/C4H9NO2.2Na/c1-2-7-4(6)3-5;;/h2-3,5H2,1H3;;
InChIKeySXCPPYQURPIYKU-UHFFFAOYSA-N
XLogP-1.25
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.10
LogP ≤ 5-1.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 172816698?
The IUPAC name of CID 172816698 (CID 172816698) is not available.
What is the SMILES notation for CID 172816698?
The canonical SMILES for CID 172816698 is CCOC(=O)CN.[Na].[Na].
What is the InChIKey of CID 172816698?
The InChIKey is SXCPPYQURPIYKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO2.2Na/c1-2-7-4(6)3-5;;/h2-3,5H2,1H3;;.
What are the key properties of CID 172816698?
CID 172816698 has a molecular weight of 149.10 g/mol, XLogP of -1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 172816698 is sourced from PubChem (CID 172816698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).