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Chemical ID: 6659302
Chemical ID:
6659302
Name [?]:
butyl 2-(1-methylpyrrolidin-2-yl)acetate
SMILES [?]:
CCCCOC(=O)CC1CCCN1C
InChi [?]:
InChI=1/C11H21NO2/c1-3-4-8-14-11(13)9-10-6-5-7-12(10)2/h10H,3-9H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,14,2,3,11,10,12,4,8,9,6,13,7,5/rA:14cCCCCOCOCCCCCNC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s10;s11;s9s12;s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H21NO2 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 8.17775 |
Area: | 403.062 |
Solvation: | -1.8988 |
Coulombic: | -23.5001 |
Bond Count [?]
All: | 14 |
Single: | 13 |
Double: | 1 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 199.29 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 1.82 |
LogP (Chemaxon): | 1.52 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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