24766551 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 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 1 1 1 1 1 2 2 2 3 3 3 4 4 4 5 5 5 6 7 7 8 8 8 9 10 10 11 11 3 6 7 6 9 10 4 12 13 5 14 15 8 16 17 18 9 19 20 21 22 23 11 24 25 26 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 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 3.732 4.232 3.732 2.866 2.866 4.5411 2.923 2 3.232 4.8198 4.4131 3.9441 4.3426 2.654 2.2554 3.0781 3.4766 5.1307 2.3334 1.69 1.4631 2.31 2.8676 5.4364 4.7775 3.7965 -0.1307 1.4081 -1.1307 -1.6307 -2.6307 0.4571 0.4571 -3.1307 1.4081 2.2172 3.1307 -1.7133 -1.023 -1.0481 -1.7384 -3.2133 -2.523 0.2655 0.2655 -2.5938 -3.4407 -3.6676 1.9097 2.1524 3.6323 3.1955 8 8 8 8 8 1 1 2 2 7 6 7 6 9 9 1 Compound Canonicalized 5 2010.01.29 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 123 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 0 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 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C0730000000000000000000000000000000160000000000000000000000000018000001C00000000000800C102042F90170C1000A0001027640000802D1112A00940001830008048000088001400000800028000200000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 1-butyl-3-vinyl-imidazol-1-ium IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 1-butyl-3-ethenylimidazol-1-ium IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 1-butyl-3-ethenylimidazol-1-ium IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 1-butyl-3-ethenylimidazol-1-ium IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 1-butyl-3-ethenyl-imidazol-1-ium IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 1-butyl-3-vinyl-imidazol-1-ium InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C9H15N2/c1-3-5-6-11-8-7-10(4-2)9-11/h4,7-9H,2-3,5-6H2,1H3/q+1 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 PQOPTKHODJNNPC-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 1.9 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 151.123523487 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C9H15N2+ Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 151.23 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CCCC[N+]1=CN(C=C1)C=C SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CCCC[N+]1=CN(C=C1)C=C Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 8.8 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 151.123523487 11 0 0 0 0 0 0 0 1 -1