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Chemical ID: 5973013
Chemical ID:
5973013
Name [?]:
8-methyl-2-(pyrrolidin-1-ylcarbonylmethyl)-5-oxa-2-azabicyclo[4.4.0]deca-7,9,11-trien-3-one
SMILES [?]:
Cc1ccc2c(c1)OCC(=O)N2CC(=O)N3CCCC3
InChi [?]:
InChI=1/C15H18N2O3/c1-11-4-5-12-13(8-11)20-10-15(19)17(12)9-14(18)16-6-2-3-7-16/h4-5,8H,2-3,6-7,9-10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,18,19,3,4,17,20,7,13,9,2,5,6,14,10,16,12,15,11,8/E:(2,3)(6,7)/rA:20nCCCCCCCOCCONCCONCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s5s10;s12;s13;d14;s14;s16;s17;s18;s16s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H18N2O3 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.65425 |
Area: | 453.208 |
Solvation: | -3.67595 |
Coulombic: | -40.6812 |
Bond Count [?]
All: | 22 |
Single: | 17 |
Double: | 5 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 274.315 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 1.05 |
LogP (Chemaxon): | 0.56 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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