1196 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 8 8 7 6 6 6 6 6 1 1 1 1 1 1 1 1 1 2 3 3 4 4 4 4 5 5 6 6 6 7 8 15 8 5 7 5 6 9 10 8 11 7 12 13 14 1 1 2 1 2 1 1 1 1 1 1 1 1 1 1 5 3 4 8 11 3 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 4.777 5.3122 2.809 3.309 3.618 2.309 2 4.5691 3.9155 3.2442 3.751 2.3738 1.7026 1.4103 5.3667 -1.0233 0.624 -0.3239 1.2149 0.2638 1.2149 0.2638 -0.0452 1.3438 1.8315 -0.5757 1.8315 1.3438 0.0723 -1.2149 3 5 11 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 130 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.384 Cactvs xemistry.com 2011.09.13 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.384 Cactvs xemistry.com 2011.09.13 1 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 0000037180623000000000000000000000000000000100000000000000000000000000000000001E00000800000828C18004000802000200280010B10C00000000000000000001B000000200120080000040000400000000008800000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 3,4-dihydro-2H-pyrrole-2-carboxylic acid IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 3,4-dihydro-2H-pyrrole-2-carboxylic acid IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 3,4-dihydro-2H-pyrrole-2-carboxylic acid IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 3,4-dihydro-2H-pyrrole-2-carboxylic acid IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 1-pyrroline-2-carboxylic acid InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C5H7NO2/c7-5(8)4-2-1-3-6-4/h3-4H,1-2H2,(H,7,8) InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 DWAKNKKXGALPNW-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2011.09.13 -0.5 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 113.047678 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C5H7NO2 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 113.11458 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 C1CC(N=C1)C(=O)O SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 C1CC(N=C1)C(=O)O Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.09.13 49.7 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 113.047678 8 1 0 1 0 0 0 0 1 1