Chemical ID: 4309524

c1cc2c(cc1C(=O)N3CCCC3)OCO2
Chemical ID:
4309524
Name [?]:
benzo[1,3]dioxol-5-yl-pyrrolidin-1-yl-methanone
SMILES [?]:
c1cc2c(cc1C(=O)N3CCCC3)OCO2
InChi [?]:
InChI=1/C12H13NO3/c14-12(13-5-1-2-6-13)9-3-4-10-11(7-9)16-8-15-10/h3-4,7H,1-2,5-6,8H2
InChi Info:
AuxInfo=1/0/N:11,12,1,2,10,13,5,15,6,3,4,7,9,8,16,14/E:(1,2)(5,6)/rA:16nCCCCCCCONCCCCOCO/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s9;s10;s11;s9s12;s4;s14;s3s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H13NO3
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:6.30068
Area:380.752
Solvation:-3.21813
Coulombic:-33.0409
Bond Count [?]
All:18
Single:14
Double:4
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:219.237
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:1.83
LogP (Chemaxon):1.2

Name Annotations

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Descriptor Annotations

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