79637 1 2 3 4 5 6 7 8 9 10 7 6 6 6 6 1 1 1 1 1 1 2 2 2 2 3 3 3 4 4 5 3 4 5 6 4 7 8 9 10 3 1 1 1 1 1 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 4.866 2.866 2 2 3.866 3.0265 1.3894 2.212 2.212 1.3894 -0 0 -0.5 0.5 -0 0.5989 -0.6077 -1.0826 1.0826 0.6077 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 72.9 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0000037180620000000000000000000000001800000000000000000000000000000000000000001C00000000000D008100000000000000001004000000000000000000000000000000000080000000000000000000000000080000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 cyclopropanecarbonitrile IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 cyclopropanecarbonitrile IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 cyclopropanecarbonitrile IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 cyclopropanecarbonitrile IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 cyclopropanecarbonitrile IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 cyclopropanecarbonitrile InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C4H5N/c5-3-4-1-2-4/h4H,1-2H2 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 AUQDITHEDVOTCU-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2021.10.14 0.3 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 67.042199164 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C4H5N Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 67.09 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1CC1C#N SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1CC1C#N Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 23.8 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 67.042199164 5 0 0 0 0 0 0 0 1 -1