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Chemical ID: 5573490
Chemical ID:
5573490
Name [?]:
1-methyl-5-(4-pyridylmethylene)imidazolidine-2,4-dione
SMILES [?]:
CN1C(=Cc2ccncc2)C(=O)NC1=O
InChi [?]:
InChI=1/C10H9N3O2/c1-13-8(9(14)12-10(13)15)6-7-2-4-11-5-3-7/h2-6H,1H3,(H,12,14,15)
InChi Info:
AuxInfo=1/1/N:1,6,10,7,9,4,5,3,11,14,8,13,2,12,15/E:(2,3)(4,5)/rA:15nCNCCCCCNCCCONCO/rB:s1;s2;w3;s4;s5;d6;s7;d8;d5s9;s3;d11;s11;s2s13;d14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H9N3O2 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.2012 |
Area: | 356.954 |
Solvation: | -2.72266 |
Coulombic: | -43.3141 |
Bond Count [?]
All: | 16 |
Single: | 10 |
Double: | 6 |
Rotors: | 1 |
Chiral: | 1 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 203.197 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | -0.03 |
LogP (Chemaxon): | -0.23 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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