methyl 4-amino-5-methyl-6,7-dihydro-5H-1-benzofuran-4-carboxylate

C11H15NO3 — CID 112716289

IUPACmethyl 4-amino-5-methyl-6,7-dihydro-5H-1-benzofuran-4-carboxylate
SMILESCOC(=O)C1(N)c2ccoc2CCC1C
InChIInChI=1S/C11H15NO3/c1-7-3-4-9-8(5-6-15-9)11(7,12)10(13)14-2/h5-7H,3-4,12H2,1-2H3
InChIKeyYUJSHDZVGUAFMP-UHFFFAOYSA-N
MW209.24 g/mol
LogP1.19
Rot. Bonds1

About methyl 4-amino-5-methyl-6,7-dihydro-5H-1-benzofuran-4-carboxylate

methyl 4-amino-5-methyl-6,7-dihydro-5H-1-benzofuran-4-carboxylate (PubChem CID 112716289) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is methyl 4-amino-5-methyl-6,7-dihydro-5H-1-benzofuran-4-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-5-methyl-6,7-dihydro-5H-1-benzofuran-4-carboxylate
PubChem CID112716289
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Namemethyl 4-amino-5-methyl-6,7-dihydro-5H-1-benzofuran-4-carboxylate
SMILESCOC(=O)C1(N)c2ccoc2CCC1C
InChIInChI=1S/C11H15NO3/c1-7-3-4-9-8(5-6-15-9)11(7,12)10(13)14-2/h5-7H,3-4,12H2,1-2H3
InChIKeyYUJSHDZVGUAFMP-UHFFFAOYSA-N
XLogP1.19
TPSA65.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-5-methyl-6,7-dihydro-5H-1-benzofuran-4-carboxylate?
The IUPAC name of methyl 4-amino-5-methyl-6,7-dihydro-5H-1-benzofuran-4-carboxylate (CID 112716289) is methyl 4-amino-5-methyl-6,7-dihydro-5H-1-benzofuran-4-carboxylate.
What is the SMILES notation for methyl 4-amino-5-methyl-6,7-dihydro-5H-1-benzofuran-4-carboxylate?
The canonical SMILES for methyl 4-amino-5-methyl-6,7-dihydro-5H-1-benzofuran-4-carboxylate is COC(=O)C1(N)c2ccoc2CCC1C.
What is the InChIKey of methyl 4-amino-5-methyl-6,7-dihydro-5H-1-benzofuran-4-carboxylate?
The InChIKey is YUJSHDZVGUAFMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-7-3-4-9-8(5-6-15-9)11(7,12)10(13)14-2/h5-7H,3-4,12H2,1-2H3.
What are the key properties of methyl 4-amino-5-methyl-6,7-dihydro-5H-1-benzofuran-4-carboxylate?
methyl 4-amino-5-methyl-6,7-dihydro-5H-1-benzofuran-4-carboxylate has a molecular weight of 209.24 g/mol, XLogP of 1.19, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-5-methyl-6,7-dihydro-5H-1-benzofuran-4-carboxylate is sourced from PubChem (CID 112716289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).