6917 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 8 7 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 2 2 2 3 3 3 3 4 4 5 5 5 7 7 8 8 6 4 6 7 4 5 9 10 11 12 6 13 14 8 15 16 17 2 1 1 1 1 1 1 1 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 4.6261 2.866 2.366 2.057 3.366 3.675 2.866 2 2.4308 1.7596 1.4906 1.747 3.9725 3.3012 3.403 1.4631 2 0.2593 -0.0194 1.5194 0.5684 1.5194 0.5684 -1.0194 -1.5194 2.136 1.6483 0.8205 0.0314 1.6483 2.136 -1.3294 -1.2094 -2.1394 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 120 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.384 Cactvs xemistry.com 2011.09.13 1 Count Hydrogen Bond Donor 5 E_NHDONORS 3.384 Cactvs xemistry.com 2011.09.13 0 Count Rotatable Bond 5 E_NROTBONDS 3.384 Cactvs xemistry.com 2011.09.13 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.384 Cactvs xemistry.com 2011.09.13 00000371C0622000000000000000000000000000000160000000000000000000000000000000001E00000000000800C180040000030000008800011650000000000002000800010800000000100080000400000006008000000400000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 1-vinylpyrrolidin-2-one IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 1-ethenyl-2-pyrrolidinone IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 1-ethenylpyrrolidin-2-one IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 1-ethenylpyrrolidin-2-one IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 1-vinyl-2-pyrrolidone InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C6H9NO/c1-2-7-5-3-4-6(7)8/h2H,1,3-5H2 InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 WHNWPMSKXPGLAX-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2011.09.13 0.4 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 111.068414 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C6H9NO Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 111.14176 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 C=CN1CCCC1=O SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 C=CN1CCCC1=O Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.09.13 20.3 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 111.068414 8 0 0 0 0 0 0 0 1 2