71821964 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 29 30 31 32 33 8 8 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 3 3 4 4 4 5 5 5 6 6 6 7 7 8 9 10 10 11 11 12 12 13 13 14 15 15 16 16 17 17 18 19 9 19 5 8 9 10 15 16 6 20 21 7 22 23 8 11 12 10 24 25 13 26 14 27 14 29 28 17 19 18 30 18 31 32 33 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 2 1 1 2 1 2 1 1 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 27 28 29 30 31 32 33 4.3211 8.9519 4.6783 6.2781 5.2619 4.6783 3.732 3.732 4.9889 5.9674 2.866 2.866 2 2 7.2297 5.6917 7.2314 6.2809 8.0377 5.7227 5.7227 5.2156 4.4272 6.5812 5.988 2.866 2.866 1.4631 1.4631 5.0717 7.7336 6.0903 7.9718 -0.7345 -1.2703 0.9603 -1.147 1.765 2.5697 2.265 1.265 0.0098 -0.1965 2.765 0.765 2.265 1.265 -1.4544 -1.957 -2.4543 -2.765 -0.8652 1.3503 2.1797 2.879 3.1366 -0.1091 0.4232 3.385 0.145 0.955 2.575 -1.9581 -2.8179 -3.355 -0.2487 8 8 8 8 8 8 8 8 8 8 8 4 4 7 7 8 11 12 13 15 16 17 15 16 8 11 12 13 14 14 17 18 18 0 Compound Canonicalized 5 2012.11.26 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 358 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371C0733000000000000000000000000000000162C0000030000000000000005801C000001E00000000000C08E19E063CC0930C1000A8033D77D40082802037022008D821B864D80860F2C095B1942108608600C8C9871881800E00000000000200000000000000040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1-(2-indolin-1-yl-2-oxo-ethyl)pyrrole-2-carbaldehyde IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-pyrrolecarboxaldehyde IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]pyrrole-2-carbaldehyde IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]pyrrole-2-carbaldehyde IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1-[2-(2,3-dihydroindol-1-yl)-2-oxidanylidene-ethyl]pyrrole-2-carbaldehyde IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1-(2-indolin-1-yl-2-keto-ethyl)pyrrole-2-carbaldehyde InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C15H14N2O2/c18-11-13-5-3-8-16(13)10-15(19)17-9-7-12-4-1-2-6-14(12)17/h1-6,8,11H,7,9-10H2 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 IWTIOQWMPUEJQV-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 1.7 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 254.105527694 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C15H14N2O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 254.28 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1CN(C2=CC=CC=C21)C(=O)CN3C=CC=C3C=O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1CN(C2=CC=CC=C21)C(=O)CN3C=CC=C3C=O Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 42.3 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 254.105527694 19 0 0 0 0 0 0 0 1 -1