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Chemical ID: 7090518
Chemical ID:
7090518
Name [?]:
methyl 11-oxa-10-azabicyclo[6.3.0]undec-9-ene-9-carboxylate
SMILES [?]:
COC(=O)C1=NOC2C1CCCCCC2
InChi [?]:
InChI=1/C11H17NO3/c1-14-11(13)10-8-6-4-2-3-5-7-9(8)15-12-10/h8-9H,2-7H2,1H3
InChi Info:
AuxInfo=1/0/N:1,12,13,11,14,10,15,9,8,5,3,6,4,2,7/rA:15cCOCOCNOCCCCCCCC/rB:s1;s2;d3;s3;d5;s6;s7;s5s8;s9;s10;s11;s12;s13;s8s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H17NO3 |
All Atoms: | 32 |
Heavy Atoms: | 15 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 6.71988 |
Area: | 375.461 |
Solvation: | -2.66664 |
Coulombic: | -24.9432 |
Bond Count [?]
All: | 16 |
Single: | 14 |
Double: | 2 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 211.258 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 2.79 |
LogP (Chemaxon): | 3.05 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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