431734 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 26 27 8 7 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 3 3 3 4 4 4 5 5 5 6 6 7 7 7 8 8 9 9 9 10 11 12 12 12 11 3 4 19 5 7 13 6 8 14 6 15 16 17 18 9 20 21 10 11 10 22 23 24 12 25 26 27 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 3 2 5 7 13 3 1 4 2 6 8 14 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 23 24 25 26 27 4.6537 3.9248 4.6614 4.4026 6.0604 5.8016 2.6428 3.3268 2 2.342 3.6688 3.0261 5.0308 4.5282 6.6544 6.2553 5.6066 6.3955 3.6148 2.7653 2.0841 1.6015 1.4631 1.9435 2.5511 2.6275 3.501 -2.0112 2.0667 1.0841 0.1182 0.5753 -0.3907 0.9815 -0.8979 0.2154 -0.7242 -1.8376 -2.6036 1.582 -0.489 0.3975 1.1638 -0.9792 -0.5684 2.6036 1.5893 1.2503 0.6904 -0.0946 -1.1992 -2.2051 -3.0786 -3.0022 3 3 3 4 7 6 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 232 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 1 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 00000371C0722000000000000000000000000000000160000000000000000400100000000000001E00100000000C2CC18004020002C000008802A052000080000020000000088108004800001A0081000400000090008801831888808000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-(9-azabicyclo[4.2.1]non-2-en-2-yl)ethanone IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-(9-azabicyclo[4.2.1]non-2-en-2-yl)ethanone IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-(9-azabicyclo[4.2.1]non-2-en-2-yl)ethanone IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-(9-azabicyclo[4.2.1]non-2-en-2-yl)ethanone IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-(9-azabicyclo[4.2.1]non-2-en-2-yl)ethanone IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-(9-azabicyclo[4.2.1]non-2-en-2-yl)ethanone InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C10H15NO/c1-7(12)9-4-2-3-8-5-6-10(9)11-8/h4,8,10-11H,2-3,5-6H2,1H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 SGNXVBOIDPPRJJ-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 0.8 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 165.115364102 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C10H15NO Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 165.23 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC(=O)C1=CCCC2CCC1N2 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC(=O)C1=CCCC2CCC1N2 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 29.1 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 165.115364102 12 2 0 2 0 0 0 0 1 -1