Chemical ID: 5816960

Cc1cc(=O)n2c(n1)CCCCC2
Chemical ID:
5816960
Name [?]:
9-methyl-1,8-diazabicyclo[5.4.0]undeca-7,9-dien-11-one
SMILES [?]:
Cc1cc(=O)n2c(n1)CCCCC2
InChi [?]:
InChI=1/C10H14N2O/c1-8-7-10(13)12-6-4-2-3-5-9(12)11-8/h7H,2-6H2,1H3
InChi Info:
AuxInfo=1/0/N:1,11,10,12,9,13,3,2,7,4,8,6,5/rA:13nCCCCONCNCCCCC/rB:s1;d2;s3;d4;s4;s6;s2d7;s7;s9;s10;s11;s6s12;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H14N2O
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:6.60212
Area:331.652
Solvation:-1.68918
Coulombic:-20.4504
Bond Count [?]
All:14
Single:11
Double:3
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:178.231
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:0.65
LogP (Chemaxon):0.88

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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