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Chemical ID: 3951241
Chemical ID:
3951241
Name [?]:
8-methyl-5-(pyrrolidin-1-ylcarbonylmethyl)-2-oxa-5-azabicyclo[4.4.0]deca-7,9,11-trien-4-one
SMILES [?]:
Cc1ccc2c(c1)N(C(=O)CO2)CC(=O)N3CCCC3
InChi [?]:
InChI=1/C15H18N2O3/c1-11-4-5-13-12(8-11)17(15(19)10-20-13)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:1,18,19,3,4,17,20,7,13,11,2,6,5,14,9,16,8,15,10,12/E:(2,3)(6,7)/rA:20nCCCCCCCNCOCOCCONCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s5s11;s8;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: | 7.11505 |
Area: | 455.1 |
Solvation: | -4.26247 |
Coulombic: | -40.0025 |
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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