9661 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 7 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 1 1 2 3 3 3 4 4 4 5 5 5 6 6 6 7 7 7 8 8 8 9 9 10 10 10 11 13 4 12 12 12 26 27 5 6 10 7 14 15 8 16 17 9 18 19 9 20 21 22 23 11 24 25 13 28 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 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 5.62 7.12 7.12 5.12 4.254 5.986 4.254 5.986 5.12 4.62 3.62 6.62 2.62 4.0419 3.6434 6.5966 6.1981 3.6434 4.0419 6.1981 6.5966 4.7215 5.5185 5.2026 4.5123 7.74 6.81 2 0.7315 -0.1345 1.5976 -0.1345 -0.6345 -0.6345 -1.6345 -1.6345 -2.1345 0.7315 0.7315 0.7315 0.7315 -0.0519 -0.7422 -0.7422 -0.0519 -1.5268 -2.2171 -2.2171 -1.5268 -2.6094 -2.6094 0.9436 1.3421 1.5976 2.1345 0.7315 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 233 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C0723000000000000000000000000000000000000000300000000000000000000000001E00100000000C4480800000080040040048180000180800000000000000000000000100000200000008000004000000000180C0800E00000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (1-prop-2-ynylcyclohexyl) carbamate IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 carbamic acid (1-prop-2-ynylcyclohexyl) ester IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (1-prop-2-ynylcyclohexyl) carbamate IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (1-prop-2-ynylcyclohexyl) carbamate IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (1-prop-2-ynylcyclohexyl) carbamate IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 carbamic acid (1-propargylcyclohexyl) ester InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C10H15NO2/c1-2-6-10(13-9(11)12)7-4-3-5-8-10/h1H,3-8H2,(H2,11,12) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 MIRHIEAGDGUXKL-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 1.7 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 181.110278721 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C10H15NO2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 181.23 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C#CCC1(CCCCC1)OC(=O)N SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C#CCC1(CCCCC1)OC(=O)N Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 52.3 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 181.110278721 13 0 0 0 0 0 0 0 1 -1