Chemical ID: 6622599

c1ccc(c(c1)CN2CCCC2=O)O
Chemical ID:
6622599
Name [?]:
1-[(2-hydroxyphenyl)methyl]pyrrolidin-2-one
SMILES [?]:
c1ccc(c(c1)CN2CCCC2=O)O
InChi [?]:
InChI=1/C11H13NO2/c13-10-5-2-1-4-9(10)8-12-7-3-6-11(12)14/h1-2,4-5,13H,3,6-8H2
InChi Info:
AuxInfo=1/0/N:1,2,10,6,3,11,9,7,5,4,12,8,14,13/rA:14nCCCCCCCNCCCCOO/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s9;s10;s8s11;d12;s4;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H13NO2
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:5.34304
Area:346.92
Solvation:-3.32997
Coulombic:-30.9479
Bond Count [?]
All:15
Single:11
Double:4
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:191.226
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:1.13
LogP (Chemaxon):1.1

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Experimental Annotations

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Descriptor Annotations

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