549337 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 8 7 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 2 2 2 3 3 3 4 4 4 5 5 5 6 6 6 7 7 8 3 6 8 4 5 9 7 10 11 8 12 13 7 14 15 16 17 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 2 4 5 9 3 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 2 3.7139 3.7139 4.665 2.7056 4.665 5.2528 2.7056 3.6182 5.2019 4.4128 2.7074 2.0856 4.4128 5.2019 5.7135 5.7135 -1.0109 -0.2982 0.7018 1.0109 0.706 -0.6072 0.2018 -0.3023 1.3144 1.3209 1.5773 1.326 0.7068 -1.1736 -0.9172 -0.213 0.6167 3 3 4 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 133 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 1 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371C0622000000000000000000000000000580160000000000000000580000000000000001E00000000000828C1800400000300000008000110100000000000000000000108000000001A0080000400000006008000011808000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1-azabicyclo[3.2.0]heptan-7-one IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1-azabicyclo[3.2.0]heptan-7-one IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1-azabicyclo[3.2.0]heptan-7-one IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1-azabicyclo[3.2.0]heptan-7-one IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1-azabicyclo[3.2.0]heptan-7-one IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1-azabicyclo[3.2.0]heptan-7-one InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C6H9NO/c8-6-4-5-2-1-3-7(5)6/h5H,1-4H2 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 INAHHIFQCVEWPW-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 -0 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 111.068413911 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C6H9NO Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 111.14 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1CC2CC(=O)N2C1 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1CC2CC(=O)N2C1 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 20.3 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 111.068413911 8 1 0 1 0 0 0 0 1 -1