Chemical ID: 7092125

CCC(c1ccc2c(c1)OCCO2)N
Chemical ID:
7092125
Name [?]:
1-(2,5-dioxabicyclo[4.4.0]deca-7,9,11-trien-8-yl)propan-1-amine
SMILES [?]:
CCC(c1ccc2c(c1)OCCO2)N
InChi [?]:
InChI=1/C11H15NO2/c1-2-9(12)8-3-4-10-11(7-8)14-6-5-13-10/h3-4,7,9H,2,5-6,12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,5,6,12,11,9,4,3,7,8,14,13,10/rA:14cCCCCCCCCCOCCON/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s8;s10;s11;s7s12;s3;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H15NO2
All Atoms:29
Heavy Atoms:14
Chiral Atoms:1
ZAP Information [?]
Total:6.4869
Area:362.391
Solvation:-2.57288
Coulombic:-29.4627
Bond Count [?]
All:15
Single:12
Double:3
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:193.242
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:1.65
LogP (Chemaxon):1.36

Name Annotations

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Descriptor Annotations

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