Chemical ID: 5203593

C1CC2CC1C3C2C(=O)NC3=O
Chemical ID:
5203593
Name [?]:
None
SMILES [?]:
C1CC2CC1C3C2C(=O)NC3=O
InChi [?]:
InChI=1/C9H11NO2/c11-8-6-4-1-2-5(3-4)7(6)9(12)10-8/h4-7H,1-3H2,(H,10,11,12)
InChi Info:
AuxInfo=1/1/N:1,2,4,5,3,6,7,11,8,10,12,9/E:(1,2)(4,5)(6,7)(8,9)(11,12)/rA:12cCCCCCCCCONCO/rB:s1;s2;s3;s1s4;s5;s3s6;s7;d8;s8;s6s10;d11;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H11NO2
All Atoms:12
Heavy Atoms:12
Chiral Atoms:4
ZAP Information [?]
Total:5.42839
Area:305.107
Solvation:-2.19928
Coulombic:-27.4504
Bond Count [?]
All:14
Single:12
Double:2
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:165.189
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:0.52
LogP (Chemaxon):0.1

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