2,3-dihydro-1-benzofuran-3-yl 2-methylprop-2-enoate;5-ethenyl-2-benzofuran-1,3-dione;6-ethenyl-3H-2-benzofuran-1-one;3-methylbut-3-enoic acid;2-methylidenebutanedioic acid;2-methylidenepropanedioic acid;4-methylpent-4-enoic acid;(2-oxo-3H-1-benzofuran-3-yl) 2-methylprop-2-enoate;(2-oxochromen-4-yl) 2-methylprop-2-enoate;(2-oxo-3,4-dihydrochromen-4-yl) 2-methylprop-2-enoate;(4-oxo-2,3-dihydrochromen-6-yl) 2-methylprop-2-enoate;(3-oxo-1,2-dihydroinden-1-yl) 2-methylprop-2-enoate;prop-2-enoic acid;2-prop-1-en-2-yloxyacetic acid;3-prop-1-en-2-yloxypropanoic acid

C130H132O47 — CID 157138881

About 2,3-dihydro-1-benzofuran-3-yl 2-methylprop-2-enoate;5-ethenyl-2-benzofuran-1,3-dione;6-ethenyl-3H-2-benzofuran-1-one;3-methylbut-3-enoic acid;2-methylidenebutanedioic acid;2-methylidenepropanedioic acid;4-methylpent-4-enoic acid;(2-oxo-3H-1-benzofuran-3-yl) 2-methylprop-2-enoate;(2-oxochromen-4-yl) 2-methylprop-2-enoate;(2-oxo-3,4-dihydrochromen-4-yl) 2-methylprop-2-enoate;(4-oxo-2,3-dihydrochromen-6-yl) 2-methylprop-2-enoate;(3-oxo-1,2-dihydroinden-1-yl) 2-methylprop-2-enoate;prop-2-enoic acid;2-prop-1-en-2-yloxyacetic acid;3-prop-1-en-2-yloxypropanoic acid

2,3-dihydro-1-benzofuran-3-yl 2-methylprop-2-enoate;5-ethenyl-2-benzofuran-1,3-dione;6-ethenyl-3H-2-benzofuran-1-one;3-methylbut-3-enoic acid;2-methylidenebutanedioic acid;2-methylidenepropanedioic acid;4-methylpent-4-enoic acid;(2-oxo-3H-1-benzofuran-3-yl) 2-methylprop-2-enoate;(2-oxochromen-4-yl) 2-methylprop-2-enoate;(2-oxo-3,4-dihydrochromen-4-yl) 2-methylprop-2-enoate;(4-oxo-2,3-dihydrochromen-6-yl) 2-methylprop-2-enoate;(3-oxo-1,2-dihydroinden-1-yl) 2-methylprop-2-enoate;prop-2-enoic acid;2-prop-1-en-2-yloxyacetic acid;3-prop-1-en-2-yloxypropanoic acid (PubChem CID 157138881) has the molecular formula C130H132O47 and a molecular weight of 2446.44 g/mol. Its IUPAC name is 2,3-dihydro-1-benzofuran-3-yl 2-methylprop-2-enoate;5-ethenyl-2-benzofuran-1,3-dione;6-ethenyl-3H-2-benzofuran-1-one;3-methylbut-3-enoic acid;2-methylidenebutanedioic acid;2-methylidenepropanedioic acid;4-methylpent-4-enoic acid;(2-oxo-3H-1-benzofuran-3-yl) 2-methylprop-2-enoate;(2-oxochromen-4-yl) 2-methylprop-2-enoate;(2-oxo-3,4-dihydrochromen-4-yl) 2-methylprop-2-enoate;(4-oxo-2,3-dihydrochromen-6-yl) 2-methylprop-2-enoate;(3-oxo-1,2-dihydroinden-1-yl) 2-methylprop-2-enoate;prop-2-enoic acid;2-prop-1-en-2-yloxyacetic acid;3-prop-1-en-2-yloxypropanoic acid.

Molecular Properties

• Compound Name: 2,3-dihydro-1-benzofuran-3-yl 2-methylprop-2-enoate;5-ethenyl-2-benzofuran-1,3-dione;6-ethenyl-3H-2-benzofuran-1-one;3-methylbut-3-enoic acid;2-methylidenebutanedioic acid;2-methylidenepropanedioic acid;4-methylpent-4-enoic acid;(2-oxo-3H-1-benzofuran-3-yl) 2-methylprop-2-enoate;(2-oxochromen-4-yl) 2-methylprop-2-enoate;(2-oxo-3,4-dihydrochromen-4-yl) 2-methylprop-2-enoate;(4-oxo-2,3-dihydrochromen-6-yl) 2-methylprop-2-enoate;(3-oxo-1,2-dihydroinden-1-yl) 2-methylprop-2-enoate;prop-2-enoic acid;2-prop-1-en-2-yloxyacetic acid;3-prop-1-en-2-yloxypropanoic acid
• PubChem CID: 157138881
• Molecular Formula: C130H132O47
• Molecular Weight: 2446.44 g/mol
• Exact Mass: 2444.79
• IUPAC Name: 2,3-dihydro-1-benzofuran-3-yl 2-methylprop-2-enoate;5-ethenyl-2-benzofuran-1,3-dione;6-ethenyl-3H-2-benzofuran-1-one;3-methylbut-3-enoic acid;2-methylidenebutanedioic acid;2-methylidenepropanedioic acid;4-methylpent-4-enoic acid;(2-oxo-3H-1-benzofuran-3-yl) 2-methylprop-2-enoate;(2-oxochromen-4-yl) 2-methylprop-2-enoate;(2-oxo-3,4-dihydrochromen-4-yl) 2-methylprop-2-enoate;(4-oxo-2,3-dihydrochromen-6-yl) 2-methylprop-2-enoate;(3-oxo-1,2-dihydroinden-1-yl) 2-methylprop-2-enoate;prop-2-enoic acid;2-prop-1-en-2-yloxyacetic acid;3-prop-1-en-2-yloxypropanoic acid
• SMILES: C=C(C(=O)O)C(=O)O.C=C(C)C(=O)OC1C(=O)Oc2ccccc21.C=C(C)C(=O)OC1CC(=O)Oc2ccccc21.C=C(C)C(=O)OC1CC(=O)c2ccccc21.C=C(C)C(=O)OC1COc2ccccc21.C=C(C)C(=O)Oc1cc(=O)oc2ccccc12.C=C(C)C(=O)Oc1ccc2c(c1)C(=O)CCO2.C=C(C)CC(=O)O.C=C(C)CCC(=O)O.C=C(C)OCC(=O)O.C=C(C)OCCC(=O)O.C=C(CC(=O)O)C(=O)O.C=CC(=O)O.C=Cc1ccc2c(c1)C(=O)OC2.C=Cc1ccc2c(c1)C(=O)OC2=O
• InChI: InChI=1S/2C13H12O4.C13H10O4.C13H12O3.C12H10O4.C12H12O3.C10H6O3.C10H8O2.C6H10O3.C6H10O2.C5H6O4.C5H8O3.C5H8O2.C4H4O4.C3H4O2/c1-8(2)13(15)17-9-3-4-12-10(7-9)11(14)5-6-16-12;2*1-8(2)13(15)17-11-7-12(14)16-10-6-4-3-5-9(10)11;1-8(2)13(15)16-12-7-11(14)9-5-3-4-6-10(9)12;1-7(2)11(13)16-10-8-5-3-4-6-9(8)15-12(10)14;1-8(2)12(13)15-11-7-14-10-6-4-3-5-9(10)11;1-2-6-3-4-7-8(5-6)10(12)13-9(7)11;1-2-7-3-4-8-6-12-10(11)9(8)5-7;1-5(2)9-4-3-6(7)8;1-5(2)3-4-6(7)8;1-3(5(8)9)2-4(6)7;1-4(2)8-3-5(6)7;1-4(2)3-5(6)7;1-2(3(5)6)4(7)8;1-2-3(4)5/h3-4,7H,1,5-6H2,2H3;3-6,11H,1,7H2,2H3;3-7H,1H2,2H3;3-6,12H,1,7H2,2H3;3-6,10H,1H2,2H3;3-6,11H,1,7H2,2H3;2-5H,1H2;2-5H,1,6H2;1,3-4H2,2H3,(H,7,8);1,3-4H2,2H3,(H,7,8);1-2H2,(H,6,7)(H,8,9);1,3H2,2H3,(H,6,7);1,3H2,2H3,(H,6,7);1H2,(H,5,6)(H,7,8);2H,1H2,(H,4,5)
• InChIKey: AJYLJRQYFGRQPS-UHFFFAOYSA-N
• XLogP: 20.81
• TPSA: 717.04 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 38
• Rotatable Bonds: 32
• Heavy Atoms: 177
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2446.44
LogP ≤ 5	20.81
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzofuran-3-yl 2-methylprop-2-enoate;5-ethenyl-2-benzofuran-1,3-dione;6-ethenyl-3H-2-benzofuran-1-one;3-methylbut-3-enoic acid;2-methylidenebutanedioic acid;2-methylidenepropanedioic acid;4-methylpent-4-enoic acid;(2-oxo-3H-1-benzofuran-3-yl) 2-methylprop-2-enoate;(2-oxochromen-4-yl) 2-methylprop-2-enoate;(2-oxo-3,4-dihydrochromen-4-yl) 2-methylprop-2-enoate;(4-oxo-2,3-dihydrochromen-6-yl) 2-methylprop-2-enoate;(3-oxo-1,2-dihydroinden-1-yl) 2-methylprop-2-enoate;prop-2-enoic acid;2-prop-1-en-2-yloxyacetic acid;3-prop-1-en-2-yloxypropanoic acid?

The IUPAC name of 2,3-dihydro-1-benzofuran-3-yl 2-methylprop-2-enoate;5-ethenyl-2-benzofuran-1,3-dione;6-ethenyl-3H-2-benzofuran-1-one;3-methylbut-3-enoic acid;2-methylidenebutanedioic acid;2-methylidenepropanedioic acid;4-methylpent-4-enoic acid;(2-oxo-3H-1-benzofuran-3-yl) 2-methylprop-2-enoate;(2-oxochromen-4-yl) 2-methylprop-2-enoate;(2-oxo-3,4-dihydrochromen-4-yl) 2-methylprop-2-enoate;(4-oxo-2,3-dihydrochromen-6-yl) 2-methylprop-2-enoate;(3-oxo-1,2-dihydroinden-1-yl) 2-methylprop-2-enoate;prop-2-enoic acid;2-prop-1-en-2-yloxyacetic acid;3-prop-1-en-2-yloxypropanoic acid (CID 157138881) is 2,3-dihydro-1-benzofuran-3-yl 2-methylprop-2-enoate;5-ethenyl-2-benzofuran-1,3-dione;6-ethenyl-3H-2-benzofuran-1-one;3-methylbut-3-enoic acid;2-methylidenebutanedioic acid;2-methylidenepropanedioic acid;4-methylpent-4-enoic acid;(2-oxo-3H-1-benzofuran-3-yl) 2-methylprop-2-enoate;(2-oxochromen-4-yl) 2-methylprop-2-enoate;(2-oxo-3,4-dihydrochromen-4-yl) 2-methylprop-2-enoate;(4-oxo-2,3-dihydrochromen-6-yl) 2-methylprop-2-enoate;(3-oxo-1,2-dihydroinden-1-yl) 2-methylprop-2-enoate;prop-2-enoic acid;2-prop-1-en-2-yloxyacetic acid;3-prop-1-en-2-yloxypropanoic acid.

What is the SMILES notation for 2,3-dihydro-1-benzofuran-3-yl 2-methylprop-2-enoate;5-ethenyl-2-benzofuran-1,3-dione;6-ethenyl-3H-2-benzofuran-1-one;3-methylbut-3-enoic acid;2-methylidenebutanedioic acid;2-methylidenepropanedioic acid;4-methylpent-4-enoic acid;(2-oxo-3H-1-benzofuran-3-yl) 2-methylprop-2-enoate;(2-oxochromen-4-yl) 2-methylprop-2-enoate;(2-oxo-3,4-dihydrochromen-4-yl) 2-methylprop-2-enoate;(4-oxo-2,3-dihydrochromen-6-yl) 2-methylprop-2-enoate;(3-oxo-1,2-dihydroinden-1-yl) 2-methylprop-2-enoate;prop-2-enoic acid;2-prop-1-en-2-yloxyacetic acid;3-prop-1-en-2-yloxypropanoic acid?

The canonical SMILES for 2,3-dihydro-1-benzofuran-3-yl 2-methylprop-2-enoate;5-ethenyl-2-benzofuran-1,3-dione;6-ethenyl-3H-2-benzofuran-1-one;3-methylbut-3-enoic acid;2-methylidenebutanedioic acid;2-methylidenepropanedioic acid;4-methylpent-4-enoic acid;(2-oxo-3H-1-benzofuran-3-yl) 2-methylprop-2-enoate;(2-oxochromen-4-yl) 2-methylprop-2-enoate;(2-oxo-3,4-dihydrochromen-4-yl) 2-methylprop-2-enoate;(4-oxo-2,3-dihydrochromen-6-yl) 2-methylprop-2-enoate;(3-oxo-1,2-dihydroinden-1-yl) 2-methylprop-2-enoate;prop-2-enoic acid;2-prop-1-en-2-yloxyacetic acid;3-prop-1-en-2-yloxypropanoic acid is C=C(C(=O)O)C(=O)O.C=C(C)C(=O)OC1C(=O)Oc2ccccc21.C=C(C)C(=O)OC1CC(=O)Oc2ccccc21.C=C(C)C(=O)OC1CC(=O)c2ccccc21.C=C(C)C(=O)OC1COc2ccccc21.C=C(C)C(=O)Oc1cc(=O)oc2ccccc12.C=C(C)C(=O)Oc1ccc2c(c1)C(=O)CCO2.C=C(C)CC(=O)O.C=C(C)CCC(=O)O.C=C(C)OCC(=O)O.C=C(C)OCCC(=O)O.C=C(CC(=O)O)C(=O)O.C=CC(=O)O.C=Cc1ccc2c(c1)C(=O)OC2.C=Cc1ccc2c(c1)C(=O)OC2=O.

What is the InChIKey of 2,3-dihydro-1-benzofuran-3-yl 2-methylprop-2-enoate;5-ethenyl-2-benzofuran-1,3-dione;6-ethenyl-3H-2-benzofuran-1-one;3-methylbut-3-enoic acid;2-methylidenebutanedioic acid;2-methylidenepropanedioic acid;4-methylpent-4-enoic acid;(2-oxo-3H-1-benzofuran-3-yl) 2-methylprop-2-enoate;(2-oxochromen-4-yl) 2-methylprop-2-enoate;(2-oxo-3,4-dihydrochromen-4-yl) 2-methylprop-2-enoate;(4-oxo-2,3-dihydrochromen-6-yl) 2-methylprop-2-enoate;(3-oxo-1,2-dihydroinden-1-yl) 2-methylprop-2-enoate;prop-2-enoic acid;2-prop-1-en-2-yloxyacetic acid;3-prop-1-en-2-yloxypropanoic acid?

The InChIKey is AJYLJRQYFGRQPS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H12O4.C13H10O4.C13H12O3.C12H10O4.C12H12O3.C10H6O3.C10H8O2.C6H10O3.C6H10O2.C5H6O4.C5H8O3.C5H8O2.C4H4O4.C3H4O2/c1-8(2)13(15)17-9-3-4-12-10(7-9)11(14)5-6-16-12;2*1-8(2)13(15)17-11-7-12(14)16-10-6-4-3-5-9(10)11;1-8(2)13(15)16-12-7-11(14)9-5-3-4-6-10(9)12;1-7(2)11(13)16-10-8-5-3-4-6-9(8)15-12(10)14;1-8(2)12(13)15-11-7-14-10-6-4-3-5-9(10)11;1-2-6-3-4-7-8(5-6)10(12)13-9(7)11;1-2-7-3-4-8-6-12-10(11)9(8)5-7;1-5(2)9-4-3-6(7)8;1-5(2)3-4-6(7)8;1-3(5(8)9)2-4(6)7;1-4(2)8-3-5(6)7;1-4(2)3-5(6)7;1-2(3(5)6)4(7)8;1-2-3(4)5/h3-4,7H,1,5-6H2,2H3;3-6,11H,1,7H2,2H3;3-7H,1H2,2H3;3-6,12H,1,7H2,2H3;3-6,10H,1H2,2H3;3-6,11H,1,7H2,2H3;2-5H,1H2;2-5H,1,6H2;1,3-4H2,2H3,(H,7,8);1,3-4H2,2H3,(H,7,8);1-2H2,(H,6,7)(H,8,9);1,3H2,2H3,(H,6,7);1,3H2,2H3,(H,6,7);1H2,(H,5,6)(H,7,8);2H,1H2,(H,4,5).

What are the key properties of 2,3-dihydro-1-benzofuran-3-yl 2-methylprop-2-enoate;5-ethenyl-2-benzofuran-1,3-dione;6-ethenyl-3H-2-benzofuran-1-one;3-methylbut-3-enoic acid;2-methylidenebutanedioic acid;2-methylidenepropanedioic acid;4-methylpent-4-enoic acid;(2-oxo-3H-1-benzofuran-3-yl) 2-methylprop-2-enoate;(2-oxochromen-4-yl) 2-methylprop-2-enoate;(2-oxo-3,4-dihydrochromen-4-yl) 2-methylprop-2-enoate;(4-oxo-2,3-dihydrochromen-6-yl) 2-methylprop-2-enoate;(3-oxo-1,2-dihydroinden-1-yl) 2-methylprop-2-enoate;prop-2-enoic acid;2-prop-1-en-2-yloxyacetic acid;3-prop-1-en-2-yloxypropanoic acid?

2,3-dihydro-1-benzofuran-3-yl 2-methylprop-2-enoate;5-ethenyl-2-benzofuran-1,3-dione;6-ethenyl-3H-2-benzofuran-1-one;3-methylbut-3-enoic acid;2-methylidenebutanedioic acid;2-methylidenepropanedioic acid;4-methylpent-4-enoic acid;(2-oxo-3H-1-benzofuran-3-yl) 2-methylprop-2-enoate;(2-oxochromen-4-yl) 2-methylprop-2-enoate;(2-oxo-3,4-dihydrochromen-4-yl) 2-methylprop-2-enoate;(4-oxo-2,3-dihydrochromen-6-yl) 2-methylprop-2-enoate;(3-oxo-1,2-dihydroinden-1-yl) 2-methylprop-2-enoate;prop-2-enoic acid;2-prop-1-en-2-yloxyacetic acid;3-prop-1-en-2-yloxypropanoic acid has a molecular weight of 2446.44 g/mol, XLogP of 20.81, 32 rotatable bonds, 9 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 2,3-dihydro-1-benzofuran-3-yl 2-methylprop-2-enoate;5-ethenyl-2-benzofuran-1,3-dione;6-ethenyl-3H-2-benzofuran-1-one;3-methylbut-3-enoic acid;2-methylidenebutanedioic acid;2-methylidenepropanedioic acid;4-methylpent-4-enoic acid;(2-oxo-3H-1-benzofuran-3-yl) 2-methylprop-2-enoate;(2-oxochromen-4-yl) 2-methylprop-2-enoate;(2-oxo-3,4-dihydrochromen-4-yl) 2-methylprop-2-enoate;(4-oxo-2,3-dihydrochromen-6-yl) 2-methylprop-2-enoate;(3-oxo-1,2-dihydroinden-1-yl) 2-methylprop-2-enoate;prop-2-enoic acid;2-prop-1-en-2-yloxyacetic acid;3-prop-1-en-2-yloxypropanoic acid is sourced from PubChem (CID 157138881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).