54759170 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 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 3 3 4 4 5 5 6 6 7 8 8 9 9 10 11 12 12 13 14 14 15 15 15 16 16 17 17 18 11 4 6 9 10 17 5 8 7 10 7 11 19 12 20 13 21 14 15 13 22 23 16 24 25 26 27 18 28 18 29 30 2 1 1 1 1 2 2 1 1 1 2 1 1 2 1 2 1 2 1 1 1 1 1 1 1 1 1 2 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 4.3211 3.732 5.9674 3.732 4.6783 4.6783 5.2619 2.866 2.866 4.9889 4.9889 2 2 4.3211 5.9674 4.6318 6.2781 5.6103 5.8819 2.866 2.866 1.4631 1.4631 3.7144 5.8396 6.5741 6.0953 4.2177 6.8848 5.8029 -3.0779 -1.0784 1.3831 -0.0784 0.2264 -1.3831 -0.5784 0.4216 -1.5784 1.1769 -2.3336 -0.0784 -1.0784 1.9212 -2.5398 2.8717 2.3336 3.0779 -0.5784 1.0416 -2.1984 0.2316 -1.3884 1.7933 -3.1465 -2.6677 -1.9332 3.3332 2.4615 3.6672 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 2 2 2 3 3 4 4 5 6 8 9 10 12 14 16 17 4 6 9 10 17 5 8 7 7 12 13 14 13 16 18 18 0 Compound Canonicalized 5 2012.01.05 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 318 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C07320000000000000000000000000000001600000002C580000000000005801F800001E00000000000C0CC19E043EC0B30C1800A803B477440082802037022008D821B864D80820F2C0D5B1842108608000C8C9871889C09E00000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 1-[1-(2-pyridyl)indolizin-3-yl]ethanone IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 1-[1-(2-pyridinyl)-3-indolizinyl]ethanone IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 1-(1-pyridin-2-ylindolizin-3-yl)ethanone IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 1-(1-pyridin-2-ylindolizin-3-yl)ethanone IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 1-(1-pyridin-2-ylindolizin-3-yl)ethanone IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 1-[1-(2-pyridyl)indolizin-3-yl]ethanone InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C15H12N2O/c1-11(18)15-10-12(13-6-2-4-8-16-13)14-7-3-5-9-17(14)15/h2-10H,1H3 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 WOSGOHDUUBVSBO-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 3.1 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 236.094963011 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C15H12N2O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 236.27 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC(=O)C1=CC(=C2N1C=CC=C2)C3=CC=CC=N3 SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC(=O)C1=CC(=C2N1C=CC=C2)C3=CC=CC=N3 Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 34.4 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 236.094963011 18 0 0 0 0 0 0 0 1 -1