Chemical ID: 4227987

Cc1ccccc1OCC(=O)N2CCCC2
Chemical ID:
4227987
Name [?]:
2-(2-methylphenoxy)-1-pyrrolidin-1-yl-ethanone
SMILES [?]:
Cc1ccccc1OCC(=O)N2CCCC2
InChi [?]:
InChI=1/C13H17NO2/c1-11-6-2-3-7-12(11)16-10-13(15)14-8-4-5-9-14/h2-3,6-7H,4-5,8-10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,4,5,14,15,3,6,13,16,9,2,7,10,12,11,8/E:(4,5)(8,9)/rA:16nCCCCCCCOCCONCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;d10;s10;s12;s13;s14;s12s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H17NO2
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:6.53427
Area:409.599
Solvation:-3.70569
Coulombic:-24.2309
Bond Count [?]
All:17
Single:13
Double:4
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:219.28
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:1.98
LogP (Chemaxon):1.76

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Experimental Annotations

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Descriptor Annotations

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