91462 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 7 7 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 3 3 4 4 4 5 5 5 6 6 7 7 8 8 9 10 10 11 3 6 19 9 11 4 7 12 5 13 14 6 15 16 17 18 8 9 10 20 21 11 22 23 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 3 1 4 7 12 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 2.5896 4.2647 3.3987 4.2077 3.8987 2.8987 3.3987 2.5326 4.2647 2.5326 3.3987 3.9511 4.5177 4.7741 4.5051 3.8339 2.9635 2.2922 2 1.9957 4.8016 1.9957 3.3987 1.3184 -1.7694 0.7306 1.3184 2.2694 2.2694 -0.2694 -0.7694 -0.7694 -1.7694 -2.2694 0.4491 0.7814 1.5705 2.3983 2.886 2.886 2.3983 1.1268 -0.4594 -0.4594 -2.0794 -2.8894 8 8 5 8 8 8 8 2 2 3 7 7 8 10 9 11 7 8 9 10 11 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 125 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 00000371C07300000000000000000000000000000001600000002C0000000000000000018000001C00100000000C28C11A043C8092C81000A0023067440082802031022008D8A03864980820E2C0D191842008609000C8C8071080800E00000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-[(2S)-pyrrolidin-2-yl]pyridine IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-[(2S)-2-pyrrolidinyl]pyridine IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-[(2<I>S</I>)-pyrrolidin-2-yl]pyridine IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-[(2S)-pyrrolidin-2-yl]pyridine IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-[(2S)-pyrrolidin-2-yl]pyridine IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-[(2S)-pyrrolidin-2-yl]pyridine InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C9H12N2/c1-3-8(7-10-5-1)9-4-2-6-11-9/h1,3,5,7,9,11H,2,4,6H2/t9-/m0/s1 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 MYKUKUCHPMASKF-VIFPVBQESA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2021.10.14 0.2 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 148.100048391 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C9H12N2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 148.20 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1CC(NC1)C2=CN=CC=C2 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1C[C@H](NC1)C2=CN=CC=C2 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 24.9 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 148.100048391 11 1 1 0 0 0 0 0 1 -1