9548611 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 8 7 7 6 6 6 6 1 1 1 1 1 1 1 1 1 2 2 2 3 4 4 4 5 5 6 6 6 7 7 3 4 7 5 8 9 10 6 11 12 13 14 15 2 1 1 1 2 1 1 1 1 1 1 1 1 1 3 -1 2 5 6 11 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 2 3.732 4.5981 3.732 5.4641 6.3301 2.866 3.112 3.732 4.352 5.4641 6.6401 6.8671 6.0201 2.866 -0.06 -0.06 0.44 -1.06 -0.06 0.44 0.44 -1.06 -1.68 -1.06 -0.68 -0.0969 0.75 0.9769 1.06 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 79.8 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C0632000000000000000000000000000000000000000000000000000000000000000001E00080000000000C10006020002000000280010219000100000000000020000180000000000000000000000000A000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[(E)-ethylideneamino]-N-methyl-formamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[(E)-ethylideneamino]-N-methylformamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 <I>N</I>-[(<I>E</I>)-ethylideneamino]-<I>N</I>-methylformamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[(E)-ethylideneamino]-N-methylformamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[(E)-ethylideneamino]-N-methyl-methanamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[(E)-ethylideneamino]-N-methyl-formamide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C4H8N2O/c1-3-5-6(2)4-7/h3-4H,1-2H3/b5-3+ InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 IMAGWKUTFZRWSB-HWKANZROSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 -0.3 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 100.063662883 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C4H8N2O Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 100.12 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC=NN(C)C=O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C/C=N/N(C)C=O Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 32.7 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 100.063662883 7 0 0 0 1 1 0 0 1 -1