69254411 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 17 8 7 7 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 1 2 3 3 3 4 4 4 5 5 5 5 6 6 6 7 7 7 8 8 9 9 10 10 12 13 13 14 14 15 16 15 11 9 10 25 11 12 26 6 7 8 11 9 17 18 10 19 20 12 13 21 22 23 24 14 15 27 16 28 16 29 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 1 2 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 2 7.2648 5.5047 6.0047 5.5047 4.6387 6.3707 4.6957 4.6387 6.3707 6.3137 5.0047 3.6803 4.3197 2.9773 3.2992 4.4266 4.0281 6.9813 6.5828 4.0281 4.4266 6.5828 6.9813 5.5047 6.3691 3.4955 4.5181 2.8861 1.0608 0.427 -1.8518 1.687 0.1482 -0.3518 -0.3518 0.736 -1.3518 -1.3518 0.736 1.687 0.5037 2.4718 1.2724 2.2631 0.2308 -0.4595 -0.4595 0.2308 -1.2441 -1.9344 -1.9344 -1.2441 -2.4718 2.1886 -0.0881 3.0592 2.7254 8 8 8 8 8 8 8 8 12 13 14 15 12 13 14 15 16 16 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 301 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 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C07320000400000000000000000000000001600000003C4000000000000058010000001E02100000000E0AC1982430C082C00000880225525000820000210700088881086688082032C19791842008609400C8C8071C88C08F80004020000200000000804000040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-chlorospiro[indoline-3,4'-piperidine]-2-one IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-chloro-2-spiro[1H-indole-3,4'-piperidine]one IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-chlorospiro[1<I>H</I>-indole-3,4&apos;-piperidine]-2-one IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-chlorospiro[1H-indole-3,4'-piperidine]-2-one IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-chloranylspiro[1H-indole-3,4'-piperidine]-2-one IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-chlorospiro[indoline-3,4'-piperidine]-2-one InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C12H13ClN2O/c13-8-1-2-10-9(7-8)12(11(16)15-10)3-5-14-6-4-12/h1-2,7,14H,3-6H2,(H,15,16) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 DCHSGXLGHKIMDL-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 1.3 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 236.0716407 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C12H13ClN2O Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 236.70 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1CNCCC12C3=C(C=CC(=C3)Cl)NC2=O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1CNCCC12C3=C(C=CC(=C3)Cl)NC2=O Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 41.1 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 236.0716407 16 0 0 0 0 0 0 0 1 -1