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Chemical ID: 6509034
Chemical ID:
6509034
Name [?]:
N-(2-furylmethyl)-3-oxo-butanamide
SMILES [?]:
CC(=O)CC(=O)NCc1ccco1
InChi [?]:
InChI=1/C9H11NO3/c1-7(11)5-9(12)10-6-8-3-2-4-13-8/h2-4H,5-6H2,1H3,(H,10,12)
InChi Info:
AuxInfo=1/1/N:1,11,10,12,4,8,2,9,5,7,3,6,13/rA:13nCCOCCONCCCCCO/rB:s1;d2;s2;s4;d5;s5;s7;s8;d9;s10;d11;s9s12;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H11NO3 |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 3.75763 |
Area: | 364.955 |
Solvation: | -5.36624 |
Coulombic: | -30.0991 |
Bond Count [?]
All: | 13 |
Single: | 9 |
Double: | 4 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 181.189 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 0.16 |
LogP (Chemaxon): | 0.35 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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