ChemDB: Chemical Search
Download
Chemical ID: 5129642
Chemical ID:
5129642
Name [?]:
N-(2-hydroxyethyl)-2-methyl-4,5-dihydrofuran-3-carboxamide
SMILES [?]:
CC1=C(CCO1)C(=O)NCCO
InChi [?]:
InChI=1/C8H13NO3/c1-6-7(2-5-12-6)8(11)9-3-4-10/h10H,2-5H2,1H3,(H,9,11)
InChi Info:
AuxInfo=1/1/N:1,4,10,11,5,2,3,7,9,12,8,6/rA:12nCCCCCOCONCCO/rB:s1;d2;s3;s4;s2s5;s3;d7;s7;s9;s10;s11;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H13NO3 |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 4.68489 |
Area: | 343.895 |
Solvation: | -3.91249 |
Coulombic: | -43.6069 |
Bond Count [?]
All: | 12 |
Single: | 10 |
Double: | 2 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 171.194 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | -0.72 |
LogP (Chemaxon): | -1.64 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|