methyl 2-[(dimethylamino)methyl]-1-benzofuran-6-carboxylate

C13H15NO3 — CID 58897575

IUPACmethyl 2-[(dimethylamino)methyl]-1-benzofuran-6-carboxylate
SMILESCOC(=O)c1ccc2cc(CN(C)C)oc2c1
InChIInChI=1S/C13H15NO3/c1-14(2)8-11-6-9-4-5-10(13(15)16-3)7-12(9)17-11/h4-7H,8H2,1-3H3
InChIKeyODCXJQZZJAREFG-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.28
Rot. Bonds3

About methyl 2-[(dimethylamino)methyl]-1-benzofuran-6-carboxylate

methyl 2-[(dimethylamino)methyl]-1-benzofuran-6-carboxylate (PubChem CID 58897575) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is methyl 2-[(dimethylamino)methyl]-1-benzofuran-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(dimethylamino)methyl]-1-benzofuran-6-carboxylate
PubChem CID58897575
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Namemethyl 2-[(dimethylamino)methyl]-1-benzofuran-6-carboxylate
SMILESCOC(=O)c1ccc2cc(CN(C)C)oc2c1
InChIInChI=1S/C13H15NO3/c1-14(2)8-11-6-9-4-5-10(13(15)16-3)7-12(9)17-11/h4-7H,8H2,1-3H3
InChIKeyODCXJQZZJAREFG-UHFFFAOYSA-N
XLogP2.28
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[2-(6-methoxycarbonyl-1-benzofuran-2-yl)ethyl]-1-benzofuran-6-carboxylate
CID 23655159
(6-methoxycarbonyl-1-benzofuran-2-carbonyl)oxymethylphosphonic acid
CID 71577616
methyl 2-(nitrosomethyl)-1-benzofuran-5-carboxylate
CID 90888890
methyl 4-[(dimethylamino)methyl]-3-methylbenzoate
CID 69299966
2-[(4-methoxyphenoxy)methyl]-1-benzofuran-6-carboxylic acid
CID 117179469
methyl 6-(aminomethyl)-1-benzofuran-2-carboxylate
CID 84778259
methyl 2-[(5-methyl-1,2-oxazol-3-yl)methoxy]-1-benzofuran-6-carboxylate
CID 91466477
methyl 3-[(E)-3-ethoxy-3-oxoprop-1-enyl]-2-oxochromene-7-carboxylate
CID 134912242
methyl 2-(diethoxymethyl)-1-benzofuran-5-carboxylate
CID 22481762
methyl 6-(dimethylsulfamoyloxy)naphthalene-2-carboxylate
CID 102591550
methyl 4-(bromomethyl)benzoate;methyl 4-[(dimethylamino)methyl]benzoate
CID 70071463
methyl 4-amino-3-[3-(dimethylamino)propylamino]benzoate
CID 82785034

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(dimethylamino)methyl]-1-benzofuran-6-carboxylate?
The IUPAC name of methyl 2-[(dimethylamino)methyl]-1-benzofuran-6-carboxylate (CID 58897575) is methyl 2-[(dimethylamino)methyl]-1-benzofuran-6-carboxylate.
What is the SMILES notation for methyl 2-[(dimethylamino)methyl]-1-benzofuran-6-carboxylate?
The canonical SMILES for methyl 2-[(dimethylamino)methyl]-1-benzofuran-6-carboxylate is COC(=O)c1ccc2cc(CN(C)C)oc2c1.
What is the InChIKey of methyl 2-[(dimethylamino)methyl]-1-benzofuran-6-carboxylate?
The InChIKey is ODCXJQZZJAREFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-14(2)8-11-6-9-4-5-10(13(15)16-3)7-12(9)17-11/h4-7H,8H2,1-3H3.
What are the key properties of methyl 2-[(dimethylamino)methyl]-1-benzofuran-6-carboxylate?
methyl 2-[(dimethylamino)methyl]-1-benzofuran-6-carboxylate has a molecular weight of 233.27 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(dimethylamino)methyl]-1-benzofuran-6-carboxylate is sourced from PubChem (CID 58897575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).