Chemical ID: 6915360

CC1(C(=O)N(C(=O)[N+](=O)C1=O)C)C2=CCCCC2
Chemical ID:
6915360
Name [?]:
5-(1-cyclohexenyl)-1,5-dimethyl-3-oxo-pyrimidine-2,4,6-trione
SMILES [?]:
CC1(C(=O)N(C(=O)[N+](=O)C1=O)C)C2=CCCCC2
InChi [?]:
InChI=1/C12H15N2O4/c1-12(8-6-4-3-5-7-8)9(15)13(2)11(17)14(18)10(12)16/h6H,3-5,7H2,1-2H3/q+1
InChi Info:
AuxInfo=1/0/N:1,12,16,15,17,14,18,13,3,10,6,2,5,8,4,11,7,9/CRV:14+1/rA:18cCCCONCON+OCOCCCCCCC/rB:s1;s2;d3;s3;s5;d6;s6;d8;s2s8;d10;s5;s2;d13;s14;s15;s16;s13s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H15N2O4+
All Atoms:33
Heavy Atoms:18
Chiral Atoms:1
ZAP Information [?]
Total:-20.5714
Area:400.316
Solvation:-30.5793
Coulombic:-3.70189
Bond Count [?]
All:19
Single:14
Double:5
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:251.259
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:1.74
LogP (Chemaxon):-1.91

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