Chemical ID: 5168358

C[N+]1(CC1)CCC(=O)OC
Chemical ID:
5168358
Name [?]:
methyl 3-(1-methyl-1-azoniacycloprop-1-yl)propanoate
SMILES [?]:
C[N+]1(CC1)CCC(=O)OC
InChi [?]:
InChI=1/C7H14NO2/c1-8(5-6-8)4-3-7(9)10-2/h3-6H2,1-2H3/q+1
InChi Info:
AuxInfo=1/0/N:1,10,6,5,3,4,7,2,8,9/E:(5,6)/CRV:8+1/rA:10nCN+CCCCCOOC/rB:s1;s2;s2s3;s2;s5;s6;d7;s7;s9;/rC:;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H14NO2+
All Atoms:10
Heavy Atoms:10
Chiral Atoms:0
ZAP Information [?]
Total:-23.5923
Area:320.414
Solvation:-31.6026
Coulombic:11.7581
Bond Count [?]
All:10
Single:9
Double:1
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:144.192
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:-1.56
LogP (Chemaxon):-4.84

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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