Chemical ID: 5228115

CC(=O)C1=CCCC2CCC1N2
Chemical ID:
5228115
Name [?]:
1-(9-azabicyclo[4.2.1]non-4-en-5-yl)ethanone
SMILES [?]:
CC(=O)C1=CCCC2CCC1N2
InChi [?]:
InChI=1/C10H15NO/c1-7(12)9-4-2-3-8-5-6-10(9)11-8/h4,8,10-11H,2-3,5-6H2,1H3
InChi Info:
AuxInfo=1/0/N:1,6,7,5,9,10,2,8,4,11,12,3/rA:12cCCOCCCCCCCCN/rB:s1;d2;s2;d4;s5;s6;s7;s8;s9;s4s10;s8s11;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H15NO
All Atoms:12
Heavy Atoms:12
Chiral Atoms:2
ZAP Information [?]
Total:5.94981
Area:315.011
Solvation:-1.92546
Coulombic:-16.0345
Bond Count [?]
All:13
Single:11
Double:2
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:165.232
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:0.8
LogP (Chemaxon):1.2

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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