Chemical ID: 6450923

c1ccc2c(c1)N(C(=O)CO2)CCC#N
Chemical ID:
6450923
Name [?]:
3-(4-oxo-2-oxa-5-azabicyclo[4.4.0]deca-7,9,11-trien-5-yl)propanenitrile
SMILES [?]:
c1ccc2c(c1)N(C(=O)CO2)CCC#N
InChi [?]:
InChI=1/C11H10N2O2/c12-6-3-7-13-9-4-1-2-5-10(9)15-8-11(13)14/h1-2,4-5H,3,7-8H2
InChi Info:
AuxInfo=1/0/N:1,2,13,6,3,14,12,10,5,4,8,15,7,9,11/rA:15nCCCCCCNCOCOCCCN/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s8;s4s10;s7;s12;s13;t14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H10N2O2
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:6.48637
Area:376.9
Solvation:-2.93613
Coulombic:-27.2373
Bond Count [?]
All:16
Single:11
Double:4
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:202.209
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:0.45
LogP (Chemaxon):0.66

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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