Chemical ID: 6046289

c1ccc2c(c1)CCCC(=O)N2
Chemical ID:
6046289
Name [?]:
2-azabicyclo[5.4.0]undeca-8,10,12-trien-3-one
SMILES [?]:
c1ccc2c(c1)CCCC(=O)N2
InChi [?]:
InChI=1/C10H11NO/c12-10-7-3-5-8-4-1-2-6-9(8)11-10/h1-2,4,6H,3,5,7H2,(H,11,12)
InChi Info:
AuxInfo=1/1/N:1,2,8,6,7,3,9,5,4,10,12,11/rA:12nCCCCCCCCCCON/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s9;d10;s4s10;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H11NO
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:6.14713
Area:311.501
Solvation:-1.64039
Coulombic:-20.7802
Bond Count [?]
All:13
Single:9
Double:4
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:161.2
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:1.31
LogP (Chemaxon):1.96

Name Annotations

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Descriptor Annotations

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