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Chemical ID: 4691959
Chemical ID:
4691959
Name [?]:
dimethyl 3-(4-methoxyphenyl)-6,7-dihydro-5H-pyrrolizine-1,2-dicarboxylate
SMILES [?]:
COc1ccc(cc1)c2c(c(c3n2CCC3)C(=O)OC)C(=O)OC
InChi [?]:
InChI=1/C18H19NO5/c1-22-12-8-6-11(7-9-12)16-15(18(21)24-3)14(17(20)23-2)13-5-4-10-19(13)16/h6-9H,4-5,10H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,20,24,15,16,5,7,4,8,14,6,3,12,11,10,9,17,21,13,18,22,2,19,23/E:(6,7)(8,9)/rA:24nCOCCCCCCCCCCNCCCCOOCCOOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s10;d11;s9s12;s13;s14;s12s15;s11;d17;s17;s19;s10;d21;s21;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H19NO5 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.11171 |
Area: | 535.074 |
Solvation: | -4.26515 |
Coulombic: | -51.3931 |
Bond Count [?]
All: | 26 |
Single: | 19 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 329.347 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 2.91 |
LogP (Chemaxon): | 1.59 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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