Chemical ID: 4707107

COC(=O)C1CCC(=O)c2n1ccc2
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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