methyl 6-(aminomethyl)-1-benzofuran-2-carboxylate

C11H11NO3 — CID 84778259

IUPACmethyl 6-(aminomethyl)-1-benzofuran-2-carboxylate
SMILESCOC(=O)c1cc2ccc(CN)cc2o1
InChIInChI=1S/C11H11NO3/c1-14-11(13)10-5-8-3-2-7(6-12)4-9(8)15-10/h2-5H,6,12H2,1H3
InChIKeyUMHANSWMAPOZHX-UHFFFAOYSA-N
MW205.21 g/mol
LogP1.68
Rot. Bonds2

About methyl 6-(aminomethyl)-1-benzofuran-2-carboxylate

methyl 6-(aminomethyl)-1-benzofuran-2-carboxylate (PubChem CID 84778259) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is methyl 6-(aminomethyl)-1-benzofuran-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-(aminomethyl)-1-benzofuran-2-carboxylate
PubChem CID84778259
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Namemethyl 6-(aminomethyl)-1-benzofuran-2-carboxylate
SMILESCOC(=O)c1cc2ccc(CN)cc2o1
InChIInChI=1S/C11H11NO3/c1-14-11(13)10-5-8-3-2-7(6-12)4-9(8)15-10/h2-5H,6,12H2,1H3
InChIKeyUMHANSWMAPOZHX-UHFFFAOYSA-N
XLogP1.68
TPSA65.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 6-fluoro-1-benzofuran-2-carboxylate
CID 118988296
methyl 5-ethyl-1-benzofuran-2-carboxylate
CID 121014658
methyl 6-butoxy-1-benzofuran-2-carboxylate
CID 70308418
methyl 5,6-dimethyl-1-benzofuran-2-carboxylate
CID 23271204
methyl 6-(oxiran-2-ylmethoxy)-1-benzofuran-2-carboxylate
CID 146098589
(6-methoxycarbonyl-1-benzofuran-2-carbonyl)oxymethylphosphonic acid
CID 71577616
ethyl 6-(chlorosulfonylmethyl)-1-benzofuran-2-carboxylate
CID 169244684
methyl 5-fluoro-6-methoxy-1-benzofuran-2-carboxylate
CID 165463721
methyl 5-(hydroxymethyl)furo[3,2-b]pyridine-2-carboxylate
CID 58047648
[2-(2-methylpropyl)-1-benzofuran-6-yl]methanamine
CID 84671699
(6-methoxy-1-benzofuran-2-carbonyl)oxymethylphosphonic acid
CID 150972159
methyl 4-(aminomethyl)benzoate;molecular hydrogen
CID 143345470

Frequently Asked Questions

What is the IUPAC name of methyl 6-(aminomethyl)-1-benzofuran-2-carboxylate?
The IUPAC name of methyl 6-(aminomethyl)-1-benzofuran-2-carboxylate (CID 84778259) is methyl 6-(aminomethyl)-1-benzofuran-2-carboxylate.
What is the SMILES notation for methyl 6-(aminomethyl)-1-benzofuran-2-carboxylate?
The canonical SMILES for methyl 6-(aminomethyl)-1-benzofuran-2-carboxylate is COC(=O)c1cc2ccc(CN)cc2o1.
What is the InChIKey of methyl 6-(aminomethyl)-1-benzofuran-2-carboxylate?
The InChIKey is UMHANSWMAPOZHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c1-14-11(13)10-5-8-3-2-7(6-12)4-9(8)15-10/h2-5H,6,12H2,1H3.
What are the key properties of methyl 6-(aminomethyl)-1-benzofuran-2-carboxylate?
methyl 6-(aminomethyl)-1-benzofuran-2-carboxylate has a molecular weight of 205.21 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(aminomethyl)-1-benzofuran-2-carboxylate is sourced from PubChem (CID 84778259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).