Chemical ID: 3999654

c1ccc(c(c1)C=O)OCC(=O)N2CCCC2
Chemical ID:
3999654
Name [?]:
2-(pyrrolidin-1-ylcarbonylmethoxy)benzaldehyde
SMILES [?]:
c1ccc(c(c1)C=O)OCC(=O)N2CCCC2
InChi [?]:
InChI=1/C13H15NO3/c15-9-11-5-1-2-6-12(11)17-10-13(16)14-7-3-4-8-14/h1-2,5-6,9H,3-4,7-8,10H2
InChi Info:
AuxInfo=1/0/N:1,2,15,16,6,3,14,17,7,10,5,4,11,13,8,12,9/E:(3,4)(7,8)/rA:17nCCCCCCCOOCCONCCCC/rB:s1;d2;s3;d4;d1s5;s5;d7;s4;s9;s10;d11;s11;s13;s14;s15;s13s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H15NO3
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:6.3025
Area:428.216
Solvation:-4.4029
Coulombic:-31.4764
Bond Count [?]
All:18
Single:13
Double:5
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:233.263
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:1.45
LogP (Chemaxon):0.96

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Descriptor Annotations

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