Chemical ID: 4932951

c1cn2n(c1=O)CCCCC2
Chemical ID:
4932951
Name [?]:
1,7-diazabicyclo[5.3.0]dec-9-en-8-one
SMILES [?]:
c1cn2n(c1=O)CCCCC2
InChi [?]:
InChI=1/C8H12N2O/c11-8-4-7-9-5-2-1-3-6-10(8)9/h4,7H,1-3,5-6H2
InChi Info:
AuxInfo=1/0/N:9,10,8,1,11,7,2,5,3,4,6/rA:11cCCNNCOCCCCC/rB:d1;s2;s3;s1s4;d5;s4;s7;s8;s9;s3s10;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H12N2O
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:5.54035
Area:296.462
Solvation:-1.8712
Coulombic:-16.0558
Bond Count [?]
All:12
Single:10
Double:2
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:152.194
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:0.15
LogP (Chemaxon):0.62

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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