sodium;N,N-dimethylacetamide;methanolate

C5H12NNaO2 — CID 89389625

IUPACsodium;N,N-dimethylacetamide;methanolate
SMILESCC(=O)N(C)C.C[O-].[Na+]
InChIInChI=1S/C4H9NO.CH3O.Na/c1-4(6)5(2)3;1-2;/h1-3H3;1H3;/q;-1;+1
InChIKeyCHICZGKVZVFFQN-UHFFFAOYSA-N
MW141.15 g/mol
LogP-3.92
Rot. Bonds

About sodium;N,N-dimethylacetamide;methanolate

sodium;N,N-dimethylacetamide;methanolate (PubChem CID 89389625) has the molecular formula C5H12NNaO2 and a molecular weight of 141.15 g/mol. Its IUPAC name is sodium;N,N-dimethylacetamide;methanolate.

Molecular Properties

Compound Namesodium;N,N-dimethylacetamide;methanolate
PubChem CID89389625
Molecular FormulaC5H12NNaO2
Molecular Weight141.15 g/mol
Exact Mass141.08
IUPAC Namesodium;N,N-dimethylacetamide;methanolate
SMILESCC(=O)N(C)C.C[O-].[Na+]
InChIInChI=1S/C4H9NO.CH3O.Na/c1-4(6)5(2)3;1-2;/h1-3H3;1H3;/q;-1;+1
InChIKeyCHICZGKVZVFFQN-UHFFFAOYSA-N
XLogP-3.92
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.15
LogP ≤ 5-3.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of sodium;N,N-dimethylacetamide;methanolate?
The IUPAC name of sodium;N,N-dimethylacetamide;methanolate (CID 89389625) is sodium;N,N-dimethylacetamide;methanolate.
What is the SMILES notation for sodium;N,N-dimethylacetamide;methanolate?
The canonical SMILES for sodium;N,N-dimethylacetamide;methanolate is CC(=O)N(C)C.C[O-].[Na+].
What is the InChIKey of sodium;N,N-dimethylacetamide;methanolate?
The InChIKey is CHICZGKVZVFFQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO.CH3O.Na/c1-4(6)5(2)3;1-2;/h1-3H3;1H3;/q;-1;+1.
What are the key properties of sodium;N,N-dimethylacetamide;methanolate?
sodium;N,N-dimethylacetamide;methanolate has a molecular weight of 141.15 g/mol, XLogP of -3.92, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;N,N-dimethylacetamide;methanolate is sourced from PubChem (CID 89389625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).