Chemical ID: 6641171

COc1cccc(c1)N2CCNC2=O
Chemical ID:
6641171
Name [?]:
1-(3-methoxyphenyl)imidazolidin-2-one
SMILES [?]:
COc1cccc(c1)N2CCNC2=O
InChi [?]:
InChI=1/C10H12N2O2/c1-14-9-4-2-3-8(7-9)12-6-5-11-10(12)13/h2-4,7H,5-6H2,1H3,(H,11,13)
InChi Info:
AuxInfo=1/1/N:1,5,6,4,11,10,8,7,3,13,12,9,14,2/rA:14nCOCCCCCCNCCNCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s10;s11;s9s12;d13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H12N2O2
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:5.82382
Area:352.26
Solvation:-2.98267
Coulombic:-37.1368
Bond Count [?]
All:15
Single:11
Double:4
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:192.215
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:0.76
LogP (Chemaxon):0.69

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue