9568644 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 16 8 7 7 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 2 2 3 3 4 5 5 5 5 6 6 6 7 7 7 8 8 10 10 13 13 14 15 15 16 16 17 9 11 14 17 11 13 12 6 7 18 19 8 20 21 9 22 23 9 10 11 12 14 24 15 16 25 17 26 27 1 1 1 1 1 2 3 1 1 1 1 1 1 1 1 1 1 2 1 2 1 1 1 2 1 1 2 1 1 3 -1 11 13 14 24 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 4.4809 8.1565 6.0687 5.0989 2 2.5836 2.5836 3.5298 3.5298 4.4809 5.0687 4.7899 6.5687 7.5687 8.1565 9.1075 9.1075 1.5391 1.5391 2.8346 2.0462 2.0462 2.8346 6.2587 7.9649 9.6091 9.6091 -1.3271 -0.5751 -0.518 2.1931 -0.518 0.2867 -1.3228 -0.018 -1.018 0.291 -0.518 1.242 -1.3841 -1.3841 -2.1931 -1.8841 -0.8841 -0.1033 -0.9328 0.8536 0.5959 -1.632 -1.8897 -1.921 -2.7827 -2.2485 -0.5196 8 8 8 8 8 8 8 8 8 8 1 1 2 2 8 8 10 14 15 16 9 11 14 17 9 10 11 15 16 17 0 Compound Canonicalized 5 2010.01.29 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 362 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 4 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 00000371C07320004000000000000000000000000001A244000000000000000012000001E000001E04000000000C04E1D806308582000448BC06B873C404A30880642810088811264CD80CA6B2A4B59B821920E4C01128E98F9880400E80000000000000000000000000000000000002000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 2-[(E)-2-furylmethyleneamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carbonitrile IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 2-[(E)-2-furanylmethylideneamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carbonitrile IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 2-[(<I>E</I>)-furan-2-ylmethylideneamino]-5,6-dihydro-4<I>H</I>-cyclopenta[b]thiophene-3-carbonitrile IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 2-[(E)-furan-2-ylmethylideneamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carbonitrile IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 2-[(E)-furan-2-ylmethylideneamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carbonitrile IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 2-[(E)-2-furfurylideneamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carbonitrile InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C13H10N2OS/c14-7-11-10-4-1-5-12(10)17-13(11)15-8-9-3-2-6-16-9/h2-3,6,8H,1,4-5H2/b15-8+ InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 RNNWAKHOFWQFNG-OVCLIPMQSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 3 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 242.05138412 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C13H10N2OS Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 242.30 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C1CC2=C(C1)SC(=C2C#N)N=CC3=CC=CO3 SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C1CC2=C(C1)SC(=C2C#N)/N=C/C3=CC=CO3 Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 77.5 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 242.05138412 17 0 0 0 1 1 0 0 1 -1