Chemical ID: 6633060

COc1cccc(c1)N2CCCC2=O
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

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