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Chemical ID: 4707107
Chemical ID:
4707107
Name [?]:
methyl 8-oxo-6,7-dihydro-5H-indolizine-5-carboxylate
SMILES [?]:
COC(=O)C1CCC(=O)c2n1ccc2
InChi [?]:
InChI=1/C10H11NO3/c1-14-10(13)8-4-5-9(12)7-3-2-6-11(7)8/h2-3,6,8H,4-5H2,1H3
InChi Info:
AuxInfo=1/0/N:1,13,14,6,7,12,10,5,8,3,11,9,4,2/rA:14cCOCOCCCCOCNCCC/rB:s1;s2;d3;s3;s5;s6;s7;d8;s8;s5s10;s11;d12;d10s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H11NO3 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 5.87452 |
Area: | 346.67 |
Solvation: | -2.79222 |
Coulombic: | -32.944 |
Bond Count [?]
All: | 15 |
Single: | 11 |
Double: | 4 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 193.199 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 0.76 |
LogP (Chemaxon): | 0.28 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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