59105129 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 8 8 7 7 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 2 3 3 3 4 4 5 5 5 6 6 7 7 8 9 10 10 12 12 12 9 22 11 4 8 17 12 18 6 7 8 9 13 10 14 15 11 11 16 19 20 21 1 1 2 1 1 1 1 1 1 1 2 2 1 2 1 1 1 1 1 1 1 1 5 6 7 8 3 15 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 2.5369 4.269 5.135 5.135 4.269 3.403 5.135 4.269 3.403 5.135 4.269 6.001 2.866 5.672 3.732 5.672 5.672 4.5981 6.311 6.538 5.691 2 -2 -3 1.5 2.5 0 -0.5 -0.5 1 -1.5 -1.5 -2 3 -0.19 -0.19 1.31 -1.81 1.19 2.81 2.4631 3.31 3.5369 -1.69 1 5 8 0 Compound Canonicalized 5 2012.05.21 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 277 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 3 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 00000371C0733000000000000000000000000000000000000000200000000000000000000000001E00180800000C04C180040200006202008802A05640020000002020020828804000480800000001000040000040000881820000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 2-hydroxy-4-[(2-methylhydrazino)methylene]cyclohexa-2,5-dien-1-one IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 2-hydroxy-4-[(methylhydrazo)methylidene]-1-cyclohexa-2,5-dienone IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 2-hydroxy-4-[(2-methylhydrazinyl)methylidene]cyclohexa-2,5-dien-1-one IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 2-hydroxy-4-[(2-methylhydrazinyl)methylidene]cyclohexa-2,5-dien-1-one IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 4-[(2-methylhydrazinyl)methylidene]-2-oxidanyl-cyclohexa-2,5-dien-1-one IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 2-hydroxy-4-[(N'-methylhydrazino)methylene]cyclohexa-2,5-dien-1-one InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C8H10N2O2/c1-9-10-5-6-2-3-7(11)8(12)4-6/h2-5,9-10,12H,1H3 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 ABEZTWDOXUZBKF-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 0.5 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 166.074227566 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C8H10N2O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 166.18 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CNNC=C1C=CC(=O)C(=C1)O SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CNNC=C1C=CC(=O)C(=C1)O Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 61.4 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 166.074227566 12 0 0 0 1 0 1 0 1 -1