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Chemical ID: 5144658
Chemical ID:
5144658
Name [?]:
1-methyl-3-phenyl-pyrrolidin-2-one
SMILES [?]:
CN1CCC(C1=O)c2ccccc2
InChi [?]:
InChI=1/C11H13NO/c1-12-8-7-10(11(12)13)9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3
InChi Info:
AuxInfo=1/0/N:1,11,10,12,9,13,4,3,8,5,6,2,7/E:(3,4)(5,6)/rA:13cCNCCCCOCCCCCC/rB:s1;s2;s3;s4;s2s5;d6;s5;s8;d9;s10;d11;d8s12;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H13NO |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.48998 |
Area: | 343.22 |
Solvation: | -2.09052 |
Coulombic: | -17.2388 |
Bond Count [?]
All: | 14 |
Single: | 10 |
Double: | 4 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 175.227 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 1.32 |
LogP (Chemaxon): | 1.38 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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