2-methyl-N-(4-oxo-3,5-dioxatricyclo[5.2.1.02,6]decan-8-yl)prop-2-enamide;2-methyl-N-[(2-oxo-1,3-dioxolan-4-yl)methyl]prop-2-enamide;(2-oxo-1,3-dioxan-4-yl)methyl 2-methylprop-2-enoate;(11-oxo-10,12-dioxapentacyclo[6.5.1.13,6.02,7.09,13]pentadecan-4-yl) 2-methylprop-2-enoate;1-(2-oxo-1,3-dioxolan-4-yl)ethyl 2-methylprop-2-enoate;2-(2-oxo-1,3-dioxolan-4-yl)propan-2-yl 2-methylprop-2-enoate;8-prop-1-en-2-yloxy-3,5-dioxatricyclo[5.2.1.02,6]decan-4-one;4-(prop-1-en-2-yloxymethyl)-1,3-dioxolan-2-one

C83H108N2O36 — CID 163756171

About 2-methyl-N-(4-oxo-3,5-dioxatricyclo[5.2.1.02,6]decan-8-yl)prop-2-enamide;2-methyl-N-[(2-oxo-1,3-dioxolan-4-yl)methyl]prop-2-enamide;(2-oxo-1,3-dioxan-4-yl)methyl 2-methylprop-2-enoate;(11-oxo-10,12-dioxapentacyclo[6.5.1.13,6.02,7.09,13]pentadecan-4-yl) 2-methylprop-2-enoate;1-(2-oxo-1,3-dioxolan-4-yl)ethyl 2-methylprop-2-enoate;2-(2-oxo-1,3-dioxolan-4-yl)propan-2-yl 2-methylprop-2-enoate;8-prop-1-en-2-yloxy-3,5-dioxatricyclo[5.2.1.02,6]decan-4-one;4-(prop-1-en-2-yloxymethyl)-1,3-dioxolan-2-one

2-methyl-N-(4-oxo-3,5-dioxatricyclo[5.2.1.02,6]decan-8-yl)prop-2-enamide;2-methyl-N-[(2-oxo-1,3-dioxolan-4-yl)methyl]prop-2-enamide;(2-oxo-1,3-dioxan-4-yl)methyl 2-methylprop-2-enoate;(11-oxo-10,12-dioxapentacyclo[6.5.1.13,6.02,7.09,13]pentadecan-4-yl) 2-methylprop-2-enoate;1-(2-oxo-1,3-dioxolan-4-yl)ethyl 2-methylprop-2-enoate;2-(2-oxo-1,3-dioxolan-4-yl)propan-2-yl 2-methylprop-2-enoate;8-prop-1-en-2-yloxy-3,5-dioxatricyclo[5.2.1.02,6]decan-4-one;4-(prop-1-en-2-yloxymethyl)-1,3-dioxolan-2-one (PubChem CID 163756171) has the molecular formula C83H108N2O36 and a molecular weight of 1709.75 g/mol. Its IUPAC name is 2-methyl-N-(4-oxo-3,5-dioxatricyclo[5.2.1.02,6]decan-8-yl)prop-2-enamide;2-methyl-N-[(2-oxo-1,3-dioxolan-4-yl)methyl]prop-2-enamide;(2-oxo-1,3-dioxan-4-yl)methyl 2-methylprop-2-enoate;(11-oxo-10,12-dioxapentacyclo[6.5.1.13,6.02,7.09,13]pentadecan-4-yl) 2-methylprop-2-enoate;1-(2-oxo-1,3-dioxolan-4-yl)ethyl 2-methylprop-2-enoate;2-(2-oxo-1,3-dioxolan-4-yl)propan-2-yl 2-methylprop-2-enoate;8-prop-1-en-2-yloxy-3,5-dioxatricyclo[5.2.1.02,6]decan-4-one;4-(prop-1-en-2-yloxymethyl)-1,3-dioxolan-2-one.

Molecular Properties

• Compound Name: 2-methyl-N-(4-oxo-3,5-dioxatricyclo[5.2.1.02,6]decan-8-yl)prop-2-enamide;2-methyl-N-[(2-oxo-1,3-dioxolan-4-yl)methyl]prop-2-enamide;(2-oxo-1,3-dioxan-4-yl)methyl 2-methylprop-2-enoate;(11-oxo-10,12-dioxapentacyclo[6.5.1.13,6.02,7.09,13]pentadecan-4-yl) 2-methylprop-2-enoate;1-(2-oxo-1,3-dioxolan-4-yl)ethyl 2-methylprop-2-enoate;2-(2-oxo-1,3-dioxolan-4-yl)propan-2-yl 2-methylprop-2-enoate;8-prop-1-en-2-yloxy-3,5-dioxatricyclo[5.2.1.02,6]decan-4-one;4-(prop-1-en-2-yloxymethyl)-1,3-dioxolan-2-one
• PubChem CID: 163756171
• Molecular Formula: C83H108N2O36
• Molecular Weight: 1709.75 g/mol
• Exact Mass: 1708.67
• IUPAC Name: 2-methyl-N-(4-oxo-3,5-dioxatricyclo[5.2.1.02,6]decan-8-yl)prop-2-enamide;2-methyl-N-[(2-oxo-1,3-dioxolan-4-yl)methyl]prop-2-enamide;(2-oxo-1,3-dioxan-4-yl)methyl 2-methylprop-2-enoate;(11-oxo-10,12-dioxapentacyclo[6.5.1.13,6.02,7.09,13]pentadecan-4-yl) 2-methylprop-2-enoate;1-(2-oxo-1,3-dioxolan-4-yl)ethyl 2-methylprop-2-enoate;2-(2-oxo-1,3-dioxolan-4-yl)propan-2-yl 2-methylprop-2-enoate;8-prop-1-en-2-yloxy-3,5-dioxatricyclo[5.2.1.02,6]decan-4-one;4-(prop-1-en-2-yloxymethyl)-1,3-dioxolan-2-one
• SMILES: C=C(C)C(=O)NC1CC2CC1C1OC(=O)OC21.C=C(C)C(=O)NCC1COC(=O)O1.C=C(C)C(=O)OC(C)(C)C1COC(=O)O1.C=C(C)C(=O)OC(C)C1COC(=O)O1.C=C(C)C(=O)OC1CC2CC1C1C3CC(C4OC(=O)OC34)C21.C=C(C)C(=O)OCC1CCOC(=O)O1.C=C(C)OC1CC2CC1C1OC(=O)OC21.C=C(C)OCC1COC(=O)O1
• InChI: InChI=1S/C17H20O5.C12H15NO4.C11H14O4.C10H14O5.2C9H12O5.C8H11NO4.C7H10O4/c1-6(2)16(18)20-11-4-7-3-8(11)13-10-5-9(12(7)13)14-15(10)22-17(19)21-14;1-5(2)11(14)13-8-4-6-3-7(8)10-9(6)16-12(15)17-10;1-5(2)13-8-4-6-3-7(8)10-9(6)14-11(12)15-10;1-6(2)8(11)15-10(3,4)7-5-13-9(12)14-7;1-5(2)8(10)13-6(3)7-4-12-9(11)14-7;1-6(2)8(10)13-5-7-3-4-12-9(11)14-7;1-5(2)7(10)9-3-6-4-12-8(11)13-6;1-5(2)9-3-6-4-10-7(8)11-6/h7-15H,1,3-5H2,2H3;6-10H,1,3-4H2,2H3,(H,13,14);6-10H,1,3-4H2,2H3;7H,1,5H2,2-4H3;6-7H,1,4H2,2-3H3;7H,1,3-5H2,2H3;6H,1,3-4H2,2H3,(H,9,10);6H,1,3-4H2,2H3
• InChIKey: LUGCRQGJVIKYKJ-UHFFFAOYSA-N
• XLogP: 9.91
• TPSA: 466.10 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 36
• Rotatable Bonds: 21
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1709.75
LogP ≤ 5	9.91
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'cyclooctane_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(4-oxo-3,5-dioxatricyclo[5.2.1.02,6]decan-8-yl)prop-2-enamide;2-methyl-N-[(2-oxo-1,3-dioxolan-4-yl)methyl]prop-2-enamide;(2-oxo-1,3-dioxan-4-yl)methyl 2-methylprop-2-enoate;(11-oxo-10,12-dioxapentacyclo[6.5.1.13,6.02,7.09,13]pentadecan-4-yl) 2-methylprop-2-enoate;1-(2-oxo-1,3-dioxolan-4-yl)ethyl 2-methylprop-2-enoate;2-(2-oxo-1,3-dioxolan-4-yl)propan-2-yl 2-methylprop-2-enoate;8-prop-1-en-2-yloxy-3,5-dioxatricyclo[5.2.1.02,6]decan-4-one;4-(prop-1-en-2-yloxymethyl)-1,3-dioxolan-2-one?

The IUPAC name of 2-methyl-N-(4-oxo-3,5-dioxatricyclo[5.2.1.02,6]decan-8-yl)prop-2-enamide;2-methyl-N-[(2-oxo-1,3-dioxolan-4-yl)methyl]prop-2-enamide;(2-oxo-1,3-dioxan-4-yl)methyl 2-methylprop-2-enoate;(11-oxo-10,12-dioxapentacyclo[6.5.1.13,6.02,7.09,13]pentadecan-4-yl) 2-methylprop-2-enoate;1-(2-oxo-1,3-dioxolan-4-yl)ethyl 2-methylprop-2-enoate;2-(2-oxo-1,3-dioxolan-4-yl)propan-2-yl 2-methylprop-2-enoate;8-prop-1-en-2-yloxy-3,5-dioxatricyclo[5.2.1.02,6]decan-4-one;4-(prop-1-en-2-yloxymethyl)-1,3-dioxolan-2-one (CID 163756171) is 2-methyl-N-(4-oxo-3,5-dioxatricyclo[5.2.1.02,6]decan-8-yl)prop-2-enamide;2-methyl-N-[(2-oxo-1,3-dioxolan-4-yl)methyl]prop-2-enamide;(2-oxo-1,3-dioxan-4-yl)methyl 2-methylprop-2-enoate;(11-oxo-10,12-dioxapentacyclo[6.5.1.13,6.02,7.09,13]pentadecan-4-yl) 2-methylprop-2-enoate;1-(2-oxo-1,3-dioxolan-4-yl)ethyl 2-methylprop-2-enoate;2-(2-oxo-1,3-dioxolan-4-yl)propan-2-yl 2-methylprop-2-enoate;8-prop-1-en-2-yloxy-3,5-dioxatricyclo[5.2.1.02,6]decan-4-one;4-(prop-1-en-2-yloxymethyl)-1,3-dioxolan-2-one.

What is the SMILES notation for 2-methyl-N-(4-oxo-3,5-dioxatricyclo[5.2.1.02,6]decan-8-yl)prop-2-enamide;2-methyl-N-[(2-oxo-1,3-dioxolan-4-yl)methyl]prop-2-enamide;(2-oxo-1,3-dioxan-4-yl)methyl 2-methylprop-2-enoate;(11-oxo-10,12-dioxapentacyclo[6.5.1.13,6.02,7.09,13]pentadecan-4-yl) 2-methylprop-2-enoate;1-(2-oxo-1,3-dioxolan-4-yl)ethyl 2-methylprop-2-enoate;2-(2-oxo-1,3-dioxolan-4-yl)propan-2-yl 2-methylprop-2-enoate;8-prop-1-en-2-yloxy-3,5-dioxatricyclo[5.2.1.02,6]decan-4-one;4-(prop-1-en-2-yloxymethyl)-1,3-dioxolan-2-one?

The canonical SMILES for 2-methyl-N-(4-oxo-3,5-dioxatricyclo[5.2.1.02,6]decan-8-yl)prop-2-enamide;2-methyl-N-[(2-oxo-1,3-dioxolan-4-yl)methyl]prop-2-enamide;(2-oxo-1,3-dioxan-4-yl)methyl 2-methylprop-2-enoate;(11-oxo-10,12-dioxapentacyclo[6.5.1.13,6.02,7.09,13]pentadecan-4-yl) 2-methylprop-2-enoate;1-(2-oxo-1,3-dioxolan-4-yl)ethyl 2-methylprop-2-enoate;2-(2-oxo-1,3-dioxolan-4-yl)propan-2-yl 2-methylprop-2-enoate;8-prop-1-en-2-yloxy-3,5-dioxatricyclo[5.2.1.02,6]decan-4-one;4-(prop-1-en-2-yloxymethyl)-1,3-dioxolan-2-one is C=C(C)C(=O)NC1CC2CC1C1OC(=O)OC21.C=C(C)C(=O)NCC1COC(=O)O1.C=C(C)C(=O)OC(C)(C)C1COC(=O)O1.C=C(C)C(=O)OC(C)C1COC(=O)O1.C=C(C)C(=O)OC1CC2CC1C1C3CC(C4OC(=O)OC34)C21.C=C(C)C(=O)OCC1CCOC(=O)O1.C=C(C)OC1CC2CC1C1OC(=O)OC21.C=C(C)OCC1COC(=O)O1.

What is the InChIKey of 2-methyl-N-(4-oxo-3,5-dioxatricyclo[5.2.1.02,6]decan-8-yl)prop-2-enamide;2-methyl-N-[(2-oxo-1,3-dioxolan-4-yl)methyl]prop-2-enamide;(2-oxo-1,3-dioxan-4-yl)methyl 2-methylprop-2-enoate;(11-oxo-10,12-dioxapentacyclo[6.5.1.13,6.02,7.09,13]pentadecan-4-yl) 2-methylprop-2-enoate;1-(2-oxo-1,3-dioxolan-4-yl)ethyl 2-methylprop-2-enoate;2-(2-oxo-1,3-dioxolan-4-yl)propan-2-yl 2-methylprop-2-enoate;8-prop-1-en-2-yloxy-3,5-dioxatricyclo[5.2.1.02,6]decan-4-one;4-(prop-1-en-2-yloxymethyl)-1,3-dioxolan-2-one?

The InChIKey is LUGCRQGJVIKYKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O5.C12H15NO4.C11H14O4.C10H14O5.2C9H12O5.C8H11NO4.C7H10O4/c1-6(2)16(18)20-11-4-7-3-8(11)13-10-5-9(12(7)13)14-15(10)22-17(19)21-14;1-5(2)11(14)13-8-4-6-3-7(8)10-9(6)16-12(15)17-10;1-5(2)13-8-4-6-3-7(8)10-9(6)14-11(12)15-10;1-6(2)8(11)15-10(3,4)7-5-13-9(12)14-7;1-5(2)8(10)13-6(3)7-4-12-9(11)14-7;1-6(2)8(10)13-5-7-3-4-12-9(11)14-7;1-5(2)7(10)9-3-6-4-12-8(11)13-6;1-5(2)9-3-6-4-10-7(8)11-6/h7-15H,1,3-5H2,2H3;6-10H,1,3-4H2,2H3,(H,13,14);6-10H,1,3-4H2,2H3;7H,1,5H2,2-4H3;6-7H,1,4H2,2-3H3;7H,1,3-5H2,2H3;6H,1,3-4H2,2H3,(H,9,10);6H,1,3-4H2,2H3.

What are the key properties of 2-methyl-N-(4-oxo-3,5-dioxatricyclo[5.2.1.02,6]decan-8-yl)prop-2-enamide;2-methyl-N-[(2-oxo-1,3-dioxolan-4-yl)methyl]prop-2-enamide;(2-oxo-1,3-dioxan-4-yl)methyl 2-methylprop-2-enoate;(11-oxo-10,12-dioxapentacyclo[6.5.1.13,6.02,7.09,13]pentadecan-4-yl) 2-methylprop-2-enoate;1-(2-oxo-1,3-dioxolan-4-yl)ethyl 2-methylprop-2-enoate;2-(2-oxo-1,3-dioxolan-4-yl)propan-2-yl 2-methylprop-2-enoate;8-prop-1-en-2-yloxy-3,5-dioxatricyclo[5.2.1.02,6]decan-4-one;4-(prop-1-en-2-yloxymethyl)-1,3-dioxolan-2-one?

2-methyl-N-(4-oxo-3,5-dioxatricyclo[5.2.1.02,6]decan-8-yl)prop-2-enamide;2-methyl-N-[(2-oxo-1,3-dioxolan-4-yl)methyl]prop-2-enamide;(2-oxo-1,3-dioxan-4-yl)methyl 2-methylprop-2-enoate;(11-oxo-10,12-dioxapentacyclo[6.5.1.13,6.02,7.09,13]pentadecan-4-yl) 2-methylprop-2-enoate;1-(2-oxo-1,3-dioxolan-4-yl)ethyl 2-methylprop-2-enoate;2-(2-oxo-1,3-dioxolan-4-yl)propan-2-yl 2-methylprop-2-enoate;8-prop-1-en-2-yloxy-3,5-dioxatricyclo[5.2.1.02,6]decan-4-one;4-(prop-1-en-2-yloxymethyl)-1,3-dioxolan-2-one has a molecular weight of 1709.75 g/mol, XLogP of 9.91, 21 rotatable bonds, 2 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-N-(4-oxo-3,5-dioxatricyclo[5.2.1.02,6]decan-8-yl)prop-2-enamide;2-methyl-N-[(2-oxo-1,3-dioxolan-4-yl)methyl]prop-2-enamide;(2-oxo-1,3-dioxan-4-yl)methyl 2-methylprop-2-enoate;(11-oxo-10,12-dioxapentacyclo[6.5.1.13,6.02,7.09,13]pentadecan-4-yl) 2-methylprop-2-enoate;1-(2-oxo-1,3-dioxolan-4-yl)ethyl 2-methylprop-2-enoate;2-(2-oxo-1,3-dioxolan-4-yl)propan-2-yl 2-methylprop-2-enoate;8-prop-1-en-2-yloxy-3,5-dioxatricyclo[5.2.1.02,6]decan-4-one;4-(prop-1-en-2-yloxymethyl)-1,3-dioxolan-2-one is sourced from PubChem (CID 163756171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).