98788 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 8 7 6 6 6 6 6 1 1 1 1 1 1 1 1 1 2 3 3 3 4 4 4 5 6 6 7 7 8 8 6 5 4 5 11 7 9 10 6 12 13 8 14 15 16 1 2 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 7.1962 5.4641 4.5981 3.732 5.4641 6.3301 2.866 2 4.1306 3.3335 4.5981 5.9316 6.7287 2.866 2 1.4631 0.06 1.06 -0.44 0.06 0.06 -0.44 -0.44 0.06 0.5349 0.5349 -1.06 -0.9149 -0.9149 -1.06 0.68 -0.25 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 92.4 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 1 Count Rotatable Bond 5 E_NROTBONDS 3.384 Cactvs xemistry.com 2011.09.13 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.384 Cactvs xemistry.com 2011.09.13 00000371C0622000040000000000000000000000000000000000000000000000000000000000001E02100000000803C18044000002C000008800215210008000000000000800800800004000000001004000000016008000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 N-allyl-2-chloro-acetamide IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 2-chloro-N-prop-2-enylacetamide IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 2-chloro-N-prop-2-enylacetamide IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 2-chloranyl-N-prop-2-enyl-ethanamide IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 N-allyl-2-chloro-acetamide InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C5H8ClNO/c1-2-3-7-5(8)4-6/h2H,1,3-4H2,(H,7,8) InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 AZOOMRDAGOXGNJ-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2011.09.13 0.8 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 133.029442 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C5H8ClNO Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 133.57612 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 C=CCNC(=O)CCl SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 C=CCNC(=O)CCl Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.09.13 29.1 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 133.029442 8 0 0 0 0 0 0 0 1 2