71627311 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 28 8 8 8 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 2 3 4 4 4 5 5 5 6 6 6 7 7 7 7 8 8 9 9 9 12 12 12 13 13 13 8 10 10 11 5 11 22 6 10 14 8 15 16 9 12 13 17 18 19 11 20 21 23 24 25 26 27 28 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5 4 6 10 14 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 28 5.0981 6.3582 2.866 4.5981 4.5981 3.7891 2.866 4.0981 3.732 5.4071 3.732 2.866 2 5.1505 3.4791 3.2227 2.866 3.4916 4.1629 4.3426 3.9441 5.135 3.486 2.866 2.246 1.69 1.4631 2.31 -2.7694 -1.5094 -0.2306 -0.2306 -1.2306 -1.8184 1.7694 -2.7694 1.2694 -1.8184 0.2694 2.7694 1.2694 -0.9491 -1.2814 -2.0705 1.1494 -2.8983 -3.386 1.1618 1.852 0.0794 2.7694 3.3894 2.7694 1.8064 0.9594 0.7325 6 5 4 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 213 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C0723000000000000000000000000000000120000000000000000000000000000000001E00100000000D28E18006020802C004000800019018000000000000000000818800000200100080200700000616009000000200000800000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 3-methyl-N-[(3S)-2-oxotetrahydrofuran-3-yl]butanamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 3-methyl-N-[(3S)-2-oxo-3-oxolanyl]butanamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 3-methyl-<I>N</I>-[(3<I>S</I>)-2-oxooxolan-3-yl]butanamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 3-methyl-N-[(3S)-2-oxooxolan-3-yl]butanamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 3-methyl-N-[(3S)-2-oxidanylideneoxolan-3-yl]butanamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[(3S)-2-ketotetrahydrofuran-3-yl]-3-methyl-butyramide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C9H15NO3/c1-6(2)5-8(11)10-7-3-4-13-9(7)12/h6-7H,3-5H2,1-2H3,(H,10,11)/t7-/m0/s1 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 DUHWGLQNCKHNBY-ZETCQYMHSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 0.9 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 185.10519334 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C9H15NO3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 185.22 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC(C)CC(=O)NC1CCOC1=O SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC(C)CC(=O)N[C@H]1CCOC1=O Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 55.4 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 185.10519334 13 1 1 0 0 0 0 0 1 -1