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Chemical ID: 6633060
Chemical ID:
6633060
Name [?]:
1-(3-methoxyphenyl)pyrrolidin-2-one
SMILES [?]:
COc1cccc(c1)N2CCCC2=O
InChi [?]:
InChI=1/C11H13NO2/c1-14-10-5-2-4-9(8-10)12-7-3-6-11(12)13/h2,4-5,8H,3,6-7H2,1H3
InChi Info:
AuxInfo=1/0/N:1,5,11,6,4,12,10,8,7,3,13,9,14,2/rA:14nCOCCCCCCNCCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s10;s11;s9s12;d13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H13NO2 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.46924 |
Area: | 356.971 |
Solvation: | -3.45504 |
Coulombic: | -22.0365 |
Bond Count [?]
All: | 15 |
Single: | 11 |
Double: | 4 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 191.226 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 1.31 |
LogP (Chemaxon): | 1.03 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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