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Chemical ID: 4088981
Chemical ID:
4088981
Name [?]:
N-(2-furylmethyl)-2-oxo-2-pyrrolidin-1-yl-acetamide
SMILES [?]:
c1cc(oc1)CNC(=O)C(=O)N2CCCC2
InChi [?]:
InChI=1/C11H14N2O3/c14-10(11(15)13-5-1-2-6-13)12-8-9-4-3-7-16-9/h3-4,7H,1-2,5-6,8H2,(H,12,14)
InChi Info:
AuxInfo=1/1/N:14,15,1,2,13,16,5,6,3,8,10,7,12,9,11,4/E:(1,2)(5,6)/rA:16nCCCOCCNCOCONCCCC/rB:s1;d2;s3;d1s4;s3;s6;s7;d8;s8;d10;s10;s12;s13;s14;s12s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H14N2O3 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.50878 |
Area: | 409.337 |
Solvation: | -2.72465 |
Coulombic: | -48.7532 |
Bond Count [?]
All: | 17 |
Single: | 13 |
Double: | 4 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 222.241 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | -0.05 |
LogP (Chemaxon): | -0.18 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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