68859849 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 8 8 8 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 4 4 4 5 5 5 6 6 6 7 7 7 7 11 11 12 12 13 13 14 14 15 15 16 16 17 17 18 8 9 10 6 8 9 9 10 24 11 19 20 8 10 21 22 12 23 13 25 14 15 16 26 17 27 18 28 18 29 30 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 2 1 1 1 1 11 6 23 12 13 25 3 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 3.732 7.1962 5.4641 5.4641 6.3301 5.4641 4.5981 4.5981 6.3301 5.4641 4.5981 4.5981 3.732 2.866 3.732 2 2.866 2 5.6762 6.0747 4.386 3.9875 4.0611 6.8671 5.135 2.866 4.269 1.4631 2.866 1.4631 0.75 0.75 3.75 0.75 2.25 -0.25 2.25 1.25 1.25 2.75 -0.75 -1.75 -2.25 -1.75 -3.25 -2.25 -3.75 -3.25 -0.8326 -0.1423 2.8326 2.1423 -0.44 2.56 -2.06 -1.13 -3.56 -1.94 -4.37 -3.56 1 8 8 8 8 8 8 11 13 13 14 15 16 17 12 14 15 16 17 18 18 0 Compound Canonicalized 5 2012.11.26 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 384 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C07330000000000000000000000000000000000000003C4000000000000000010000001E00100000000C00C19804310083C0000088022152100082000020000008880108008888202A8851108420002897228888070080000E00000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 1-cinnamylhexahydropyrimidine-2,4,6-trione IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 1-(3-phenylprop-2-enyl)-1,3-diazinane-2,4,6-trione IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 1-(3-phenylprop-2-enyl)-1,3-diazinane-2,4,6-trione IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 1-(3-phenylprop-2-enyl)-1,3-diazinane-2,4,6-trione IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 1-(3-phenylprop-2-enyl)-1,3-diazinane-2,4,6-trione IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 1-cinnamylbarbituric acid InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C13H12N2O3/c16-11-9-12(17)15(13(18)14-11)8-4-7-10-5-2-1-3-6-10/h1-7H,8-9H2,(H,14,16,18) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 PZHVCTLHWGGCHA-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 1.2 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 244.08479225 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C13H12N2O3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 244.25 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C1C(=O)NC(=O)N(C1=O)CC=CC2=CC=CC=C2 SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C1C(=O)NC(=O)N(C1=O)CC=CC2=CC=CC=C2 Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 66.5 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 244.08479225 18 0 0 0 1 0 1 0 1 -1