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Chemical ID: 4999565
Chemical ID:
4999565
Name [?]:
ethyl 3-pyrrolidin-1-ylpropanoate
SMILES [?]:
CCOC(=O)CCN1CCCC1
InChi [?]:
InChI=1/C9H17NO2/c1-2-12-9(11)5-8-10-6-3-4-7-10/h2-8H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,10,11,6,9,12,7,4,8,5,3/E:(3,4)(6,7)/rA:12nCCOCOCCNCCCC/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s10;s8s11;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H17NO2 |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.21482 |
Area: | 361.431 |
Solvation: | -1.82096 |
Coulombic: | -22.8034 |
Bond Count [?]
All: | 12 |
Single: | 11 |
Double: | 1 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 171.237 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 0.85 |
LogP (Chemaxon): | 0.58 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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