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Chemical ID: 5091221
Chemical ID:
5091221
Name [?]:
3-(1-cyclohept-4-enyl)propanamide
SMILES [?]:
C1CC(CCC=C1)CCC(=O)N
InChi [?]:
InChI=1/C10H17NO/c11-10(12)8-7-9-5-3-1-2-4-6-9/h1-2,9H,3-8H2,(H2,11,12)
InChi Info:
AuxInfo=1/1/N:6,7,5,1,4,2,8,9,3,10,12,11/E:(1,2)(3,4)(5,6)/rA:12nCCCCCCCCCCON/rB:s1;s2;s3;s4;s5;s1d6;s3;s8;s9;d10;s10;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H17NO |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.97658 |
Area: | 345.562 |
Solvation: | -1.66249 |
Coulombic: | -26.2603 |
Bond Count [?]
All: | 12 |
Single: | 10 |
Double: | 2 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 167.248 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 2 |
XLogP: | 2.51 |
LogP (Chemaxon): | 1.54 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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