24104450 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 8 8 7 7 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 3 3 4 4 5 5 5 6 7 7 8 8 9 10 10 11 11 11 12 12 12 9 25 13 4 11 12 6 15 6 7 8 14 9 16 10 17 13 13 24 18 19 20 21 22 23 1 1 2 1 1 1 1 1 2 1 1 1 2 1 2 1 1 1 1 1 1 1 1 1 1 5 7 8 6 4 14 1 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 2.5369 4.269 3.403 3.403 4.269 4.269 3.403 5.135 3.403 5.135 2.5369 4.269 4.269 4.8059 2.866 2.866 5.672 2.8469 2 2.2269 4.579 4.8059 3.959 5.672 2 -2 -3 2.5 1.5 0 1 -0.5 -0.5 -1.5 -1.5 3 3 -2 1.31 1.19 -0.19 -0.19 3.5369 3.31 2.4631 2.4631 3.31 3.5369 -1.81 -1.69 0 Compound Canonicalized 5 2010.01.29 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 301 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C0733000000000000000000000000000000000000000200000000000000000000000001E00180800000C04C180040200026202008802A05640020000002020000828804800480800000001000040000040000881820000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 (4Z)-4-[(2,2-dimethylhydrazino)methylene]-2-hydroxy-cyclohexa-2,5-dien-1-one IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 (4Z)-4-[(2,2-dimethylhydrazinyl)methylidene]-2-hydroxy-1-cyclohexa-2,5-dienone IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 (4<I>Z</I>)-4-[(2,2-dimethylhydrazinyl)methylidene]-2-hydroxycyclohexa-2,5-dien-1-one IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 (4Z)-4-[(2,2-dimethylhydrazinyl)methylidene]-2-hydroxycyclohexa-2,5-dien-1-one IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 (4Z)-4-[(2,2-dimethylhydrazinyl)methylidene]-2-oxidanyl-cyclohexa-2,5-dien-1-one IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 (4Z)-4-[(N',N'-dimethylhydrazino)methylene]-2-hydroxy-cyclohexa-2,5-dien-1-one InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C9H12N2O2/c1-11(2)10-6-7-3-4-8(12)9(13)5-7/h3-6,10,13H,1-2H3/b7-6- InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 KHLHDNYDXLEOQO-SREVYHEPSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 0.9 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 180.089877630 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C9H12N2O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 180.20 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CN(C)NC=C1C=CC(=O)C(=C1)O SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CN(C)N/C=C\1/C=CC(=O)C(=C1)O Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 52.6 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 180.089877630 13 0 0 0 1 1 0 0 1 -1