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Chemical ID: 6508981
Chemical ID:
6508981
Name [?]:
N-cyclopentyl-3-oxo-butanamide
SMILES [?]:
CC(=O)CC(=O)NC1CCCC1
InChi [?]:
InChI=1/C9H15NO2/c1-7(11)6-9(12)10-8-4-2-3-5-8/h8H,2-6H2,1H3,(H,10,12)
InChi Info:
AuxInfo=1/1/N:1,10,11,9,12,4,2,8,5,7,3,6/E:(2,3)(4,5)/rA:12nCCOCCONCCCCC/rB:s1;d2;s2;s4;d5;s5;s7;s8;s9;s10;s8s11;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H15NO2 |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 4.54312 |
Area: | 347.538 |
Solvation: | -4.14532 |
Coulombic: | -24.0471 |
Bond Count [?]
All: | 12 |
Single: | 10 |
Double: | 2 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 169.221 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 1.44 |
LogP (Chemaxon): | 0.81 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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