Chemical ID: 5009467

c1cc2c(cc1C3CCCN3)OCO2
Chemical ID:
5009467
Name [?]:
2-benzo[1,3]dioxol-5-ylpyrrolidine
SMILES [?]:
c1cc2c(cc1C3CCCN3)OCO2
InChi [?]:
InChI=1/C11H13NO2/c1-2-9(12-5-1)8-3-4-10-11(6-8)14-7-13-10/h3-4,6,9,12H,1-2,5,7H2
InChi Info:
AuxInfo=1/0/N:9,8,1,2,10,5,13,6,7,3,4,11,14,12/rA:14cCCCCCCCCCCNOCO/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s9;s7s10;s4;s12;s3s13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H13NO2
All Atoms:14
Heavy Atoms:14
Chiral Atoms:1
ZAP Information [?]
Total:6.36041
Area:351.23
Solvation:-2.42033
Coulombic:-25.6026
Bond Count [?]
All:16
Single:13
Double:3
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:191.226
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:1.9
LogP (Chemaxon):1.65

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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