125559 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 8 7 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 1 2 2 3 3 3 4 4 4 5 5 5 6 6 6 7 7 8 9 9 10 10 11 13 13 13 14 14 11 14 12 14 4 13 22 5 6 15 7 16 17 8 18 19 8 9 10 11 20 12 21 12 23 24 25 26 27 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 2 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 2.5836 2.5836 7.7917 6.7917 6.2081 6.2081 5.2619 5.2619 4.3958 4.3958 3.5298 3.5298 8.2917 2 7.0734 6.7455 5.9571 5.9571 6.7455 4.3958 4.3958 8.1017 7.7548 8.6017 8.8286 1.5391 1.5391 0.8047 -0.8047 -0 0 0.8047 -0.8047 0.5 -0.5 1 -1 0.5 -0.5 -0.866 -0 0.5523 1.114 1.3716 -1.3716 -1.114 1.62 -1.62 0.5369 -1.176 -1.403 -0.556 0.4147 -0.4147 8 8 8 8 8 8 7 7 8 9 10 11 8 9 10 11 12 12 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 201 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 3 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 00000371C07230000000000000000000000000000001A2000000300000000000000068010000001E00100000000C2CC19807320E82C004008002204200000208002020000088800E88881D262284B11BA4302224D0110EA80790D0B30EA0000100001040004000020000208000200008000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-methyl-6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-6-amine IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-methyl-6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-6-amine IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 <I>N</I>-methyl-6,7-dihydro-5<I>H</I>-cyclopenta[f][1,3]benzodioxol-6-amine IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-methyl-6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-6-amine IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-methyl-6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-6-amine IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-6-yl(methyl)amine InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C11H13NO2/c1-12-9-2-7-4-10-11(14-6-13-10)5-8(7)3-9/h4-5,9,12H,2-3,6H2,1H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 KNZKMFXEUONVMF-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 1.7 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 191.094628657 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C11H13NO2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 191.23 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CNC1CC2=CC3=C(C=C2C1)OCO3 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CNC1CC2=CC3=C(C=C2C1)OCO3 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 30.5 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 191.094628657 14 0 0 0 0 0 0 0 1 1