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Chemical ID: 4284882
Chemical ID:
4284882
Name [?]:
1-(3-dimethylaminopropyl)-4-(4-methoxyphenyl)-pyrrolidin-2-one
SMILES [?]:
CN(C)CCCN1CC(CC1=O)c2ccc(cc2)OC
InChi [?]:
InChI=1/C16H24N2O2/c1-17(2)9-4-10-18-12-14(11-16(18)19)13-5-7-15(20-3)8-6-13/h5-8,14H,4,9-12H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,20,5,14,18,15,17,4,6,10,8,13,9,16,11,2,7,12,19/E:(1,2)(5,6)(7,8)/rA:20cCNCCCCNCCCCOCCCCCCOC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s7s10;d11;s9;s13;d14;s15;d16;d13s17;s16;s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H24N2O2 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.55478 |
Area: | 504.464 |
Solvation: | -4.05682 |
Coulombic: | -27.814 |
Bond Count [?]
All: | 21 |
Single: | 17 |
Double: | 4 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 276.374 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 1.34 |
LogP (Chemaxon): | 1.0 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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