methyl 4-amino-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrrole-2-carboxylate

C16H18N2O3 — CID 66361366

About methyl 4-amino-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrrole-2-carboxylate

methyl 4-amino-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrrole-2-carboxylate (PubChem CID 66361366) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is methyl 4-amino-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrrole-2-carboxylate.

Molecular Properties

• Compound Name: methyl 4-amino-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrrole-2-carboxylate
• PubChem CID: 66361366
• Molecular Formula: C16H18N2O3
• Molecular Weight: 286.33 g/mol
• Exact Mass: 286.13
• IUPAC Name: methyl 4-amino-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrrole-2-carboxylate
• SMILES: COC(=O)c1cc(N)cn1CC1Cc2cc(C)ccc2O1
• InChI: InChI=1S/C16H18N2O3/c1-10-3-4-15-11(5-10)6-13(21-15)9-18-8-12(17)7-14(18)16(19)20-2/h3-5,7-8,13H,6,9,17H2,1-2H3
• InChIKey: UQOVAMQAPDAKSH-UHFFFAOYSA-N
• XLogP: 2.17
• TPSA: 66.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	286.33
LogP ≤ 5	2.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrrole-2-carboxylate?

The IUPAC name of methyl 4-amino-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrrole-2-carboxylate (CID 66361366) is methyl 4-amino-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrrole-2-carboxylate.

What is the SMILES notation for methyl 4-amino-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrrole-2-carboxylate?

The canonical SMILES for methyl 4-amino-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrrole-2-carboxylate is COC(=O)c1cc(N)cn1CC1Cc2cc(C)ccc2O1.

What is the InChIKey of methyl 4-amino-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrrole-2-carboxylate?

The InChIKey is UQOVAMQAPDAKSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-10-3-4-15-11(5-10)6-13(21-15)9-18-8-12(17)7-14(18)16(19)20-2/h3-5,7-8,13H,6,9,17H2,1-2H3.

What are the key properties of methyl 4-amino-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrrole-2-carboxylate?

methyl 4-amino-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrrole-2-carboxylate has a molecular weight of 286.33 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 4-amino-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrrole-2-carboxylate is sourced from PubChem (CID 66361366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).