2-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]-1-pyrrolidin-1-ylethanone

C17H24N2O3 — CID 56812561

About 2-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]-1-pyrrolidin-1-ylethanone

2-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]-1-pyrrolidin-1-ylethanone (PubChem CID 56812561) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 2-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]-1-pyrrolidin-1-ylethanone.

Molecular Properties

• Compound Name: 2-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]-1-pyrrolidin-1-ylethanone
• PubChem CID: 56812561
• Molecular Formula: C17H24N2O3
• Molecular Weight: 304.39 g/mol
• Exact Mass: 304.18
• IUPAC Name: 2-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]-1-pyrrolidin-1-ylethanone
• SMILES: COc1cc2c(cc1CNCC(=O)N1CCCC1)OC(C)C2
• InChI: InChI=1S/C17H24N2O3/c1-12-7-13-8-15(21-2)14(9-16(13)22-12)10-18-11-17(20)19-5-3-4-6-19/h8-9,12,18H,3-7,10-11H2,1-2H3
• InChIKey: RGVFGSDZDCDINX-UHFFFAOYSA-N
• XLogP: 1.73
• TPSA: 50.80 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	304.39
LogP ≤ 5	1.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]-1-pyrrolidin-1-ylethanone?

The IUPAC name of 2-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]-1-pyrrolidin-1-ylethanone (CID 56812561) is 2-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]-1-pyrrolidin-1-ylethanone.

What is the SMILES notation for 2-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]-1-pyrrolidin-1-ylethanone?

The canonical SMILES for 2-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]-1-pyrrolidin-1-ylethanone is COc1cc2c(cc1CNCC(=O)N1CCCC1)OC(C)C2.

What is the InChIKey of 2-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]-1-pyrrolidin-1-ylethanone?

The InChIKey is RGVFGSDZDCDINX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-12-7-13-8-15(21-2)14(9-16(13)22-12)10-18-11-17(20)19-5-3-4-6-19/h8-9,12,18H,3-7,10-11H2,1-2H3.

What are the key properties of 2-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]-1-pyrrolidin-1-ylethanone?

2-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]-1-pyrrolidin-1-ylethanone has a molecular weight of 304.39 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 56812561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).