781758 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 28 29 30 8 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 1 1 1 2 3 3 3 4 4 5 5 5 6 6 6 7 7 7 8 8 8 9 9 10 10 10 11 11 12 13 13 13 4 11 12 4 10 12 5 6 7 16 17 8 14 15 9 18 19 9 20 21 22 23 11 24 25 26 27 13 28 29 30 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 4.5878 3.3006 4.5878 4 3.5 3.5 2.5 2.5 2 5.5388 5.5388 4.2788 4.9479 4.0826 3.3923 3.3923 4.0826 1.9174 2.6077 2.6077 1.9174 1.525 1.525 6.1554 5.6678 5.6678 6.1554 5.4086 5.3628 4.4872 -1.6276 1.1494 -0.0096 -0.8186 -1.6846 0.0474 -1.6846 0.0474 -0.8186 -0.3186 -1.3186 0.9415 1.6846 0.2595 0.658 -2.2952 -1.8967 -1.8967 -2.2952 0.658 0.2595 -0.4201 -1.2171 -0.3834 0.2879 -1.925 -1.2538 1.2698 2.1454 2.0995 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.12.21 209 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.384 Cactvs xemistry.com 2011.12.21 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.384 Cactvs xemistry.com 2011.12.21 0 Count Rotatable Bond 5 E_NROTBONDS 3.384 Cactvs xemistry.com 2011.12.21 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.384 Cactvs xemistry.com 2011.12.21 00000371E0723000000000000000000000000000000160000000300000000000000000000000001E0000000000080CE180060200030004000800011010000000000000000000000800000200020080000F00000406009000019040000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.1.0 LexiChem openeye.com 2011.12.21 1-(1-oxa-4-azaspiro[4.5]decan-4-yl)ethanone IUPAC Name CAS-like Style 1 2.1.0 LexiChem openeye.com 2011.12.21 1-(1-oxa-4-azaspiro[4.5]decan-4-yl)ethanone IUPAC Name Preferred 1 2.1.0 LexiChem openeye.com 2011.12.21 1-(1-oxa-4-azaspiro[4.5]decan-4-yl)ethanone IUPAC Name Systematic 1 2.1.0 LexiChem openeye.com 2011.12.21 1-(1-oxa-4-azaspiro[4.5]decan-4-yl)ethanone IUPAC Name Traditional 1 2.1.0 LexiChem openeye.com 2011.12.21 1-(1-oxa-4-azaspiro[4.5]decan-4-yl)ethanone InChI Standard 1 1.0.4 InChI nist.gov 2011.12.21 InChI=1S/C10H17NO2/c1-9(12)11-7-8-13-10(11)5-3-2-4-6-10/h2-8H2,1H3 InChIKey Standard 1 1.0.4 InChI nist.gov 2011.12.21 MPBDMTMCMZNPMY-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2011.12.21 1.1 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.12.21 183.125929 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.12.21 C10H17NO2 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.12.21 183.24748 SMILES Canonical 1 1.7.6 OEChem openeye.com 2011.12.21 CC(=O)N1CCOC12CCCCC2 SMILES Isomeric 1 1.7.6 OEChem openeye.com 2011.12.21 CC(=O)N1CCOC12CCCCC2 Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.12.21 29.5 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.12.21 183.125929 13 0 0 0 0 0 0 0 1 1