Chemical ID: 6633577

COc1ccc2c(c1)CCCNC2=O
Chemical ID:
6633577
Name [?]:
9-methoxy-3-azabicyclo[5.4.0]undeca-8,10,12-trien-2-one
SMILES [?]:
COc1ccc2c(c1)CCCNC2=O
InChi [?]:
InChI=1/C11H13NO2/c1-14-9-4-5-10-8(7-9)3-2-6-12-11(10)13/h4-5,7H,2-3,6H2,1H3,(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,10,9,4,5,11,8,7,3,6,13,12,14,2/rA:14nCOCCCCCCCCCNCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s10;s11;s6s12;d13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H13NO2
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:5.87385
Area:347.008
Solvation:-2.80136
Coulombic:-29.246
Bond Count [?]
All:15
Single:11
Double:4
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:191.226
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:1.55
LogP (Chemaxon):1.07

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