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Chemical ID: 5228115
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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