78225 1 2 3 4 5 6 7 8 9 10 11 12 8 7 6 6 6 1 1 1 1 1 1 1 6 2 7 2 8 2 9 2 10 2 11 2 12 2 1 2 2 2 3 3 3 4 4 4 5 5 3 4 5 6 7 8 9 10 11 12 2 1 1 1 1 1 1 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 5.135 3.403 2.5369 3.403 4.269 2 2.2269 2.8469 3.403 4.023 2.783 4.269 0.25 0.25 0.75 -0.75 0.75 1.06 0.2131 1.2869 -1.37 -0.75 -0.75 1.37 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 33.9 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 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 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371804220000000000000000000000000000000000000000000000000000000000000000016000000000000000000060200030000000800000090000000000000000000000800000000000000000000000002000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-deuterio-N,N-bis(trideuteriomethyl)formamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-deuterio-N,N-bis(trideuteriomethyl)formamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-deuterio-<I>N</I>,<I>N</I>-bis(trideuteriomethyl)formamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-deuterio-N,N-bis(trideuteriomethyl)formamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-deuterio-N,N-bis(trideuteriomethyl)methanamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-deuterio-N,N-bis(trideuteriomethyl)formamide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3/i1D3,2D3,3D InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 ZMXDDKWLCZADIW-YYWVXINBSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2021.10.14 -1 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 80.096701068 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C3H7NO Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 80.14 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CN(C)C=O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 [2H]C(=O)N(C([2H])([2H])[2H])C([2H])([2H])[2H] Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 20.3 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 80.096701068 5 0 0 0 0 0 0 7 1 -1