N,N-DIMETHYLFORMAMIDE
CNP0566193.0 · C3H7NO · View on COCONUT ↗
Identifiers
| Name | N,N-DIMETHYLFORMAMIDE |
|---|
| IUPAC Name | ~{N},~{N}-dimethylformamide |
|---|
| COCONUT ID | CNP0566193.0 |
|---|
| CAS | 68-12-2 |
|---|
| InChIKey | ZMXDDKWLCZADIW-UHFFFAOYSA-N |
|---|
| InChI | InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3 |
|---|
| SMILES | CN(C)C=O |
|---|
Properties
| Molecular Formula | C3H7NO |
|---|
| Molecular Weight | 73.09 |
|---|
| Exact Mass | 73.05276 |
|---|
| Log P (ALogP) | -0.30 |
|---|
| TPSA | 20.31 |
|---|
| H-Bond Donors / Acceptors | 0 / 1 |
|---|
| Rotatable Bonds | 1 |
|---|
| Lipinski's Rule of 5 Violations | 0 |
|---|
| QED Drug-likeness | 0.39 |
|---|
| NP-likeness | -0.20 |
|---|
Classification
| NP Pathway | |
|---|
| NP Superclass | |
|---|
| NP Class | |
|---|
| Chemical Superclass | Organic acids and derivatives |
|---|
| Chemical Class | Carboxylic acids and derivatives |
|---|
| Chemical Subclass | Carboxylic acid derivatives |
|---|
Reported in GR-MAPs Plants
Data from COCONUT (COlleCtion of Open Natural prodUcTs), released under CC0. Chandrasekhar V. et al. COCONUT 2.0: a comprehensive overhaul and curation of the collection of open natural products database. Nucleic Acids Research (2024), doi:10.1093/nar/gkae1063. COCONUT release 2026-10.
