Chemical ID: 4284882

CN(C)CCCN1CC(CC1=O)c2ccc(cc2)OC
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

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Descriptor Annotations

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