7-(aminomethyl)-1-benzofuran-3-carboxylic acid

C10H9NO3 — CID 84771746

IUPAC7-(aminomethyl)-1-benzofuran-3-carboxylic acid
SMILESNCc1cccc2c(C(=O)O)coc12
InChIInChI=1S/C10H9NO3/c11-4-6-2-1-3-7-8(10(12)13)5-14-9(6)7/h1-3,5H,4,11H2,(H,12,13)
InChIKeyIEBZWEYCEVSCSH-UHFFFAOYSA-N
MW191.19 g/mol
LogP1.59
Rot. Bonds2

About 7-(aminomethyl)-1-benzofuran-3-carboxylic acid

7-(aminomethyl)-1-benzofuran-3-carboxylic acid (PubChem CID 84771746) has the molecular formula C10H9NO3 and a molecular weight of 191.19 g/mol. Its IUPAC name is 7-(aminomethyl)-1-benzofuran-3-carboxylic acid.

Molecular Properties

Compound Name7-(aminomethyl)-1-benzofuran-3-carboxylic acid
PubChem CID84771746
Molecular FormulaC10H9NO3
Molecular Weight191.19 g/mol
Exact Mass191.06
IUPAC Name7-(aminomethyl)-1-benzofuran-3-carboxylic acid
SMILESNCc1cccc2c(C(=O)O)coc12
InChIInChI=1S/C10H9NO3/c11-4-6-2-1-3-7-8(10(12)13)5-14-9(6)7/h1-3,5H,4,11H2,(H,12,13)
InChIKeyIEBZWEYCEVSCSH-UHFFFAOYSA-N
XLogP1.59
TPSA76.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(propan-2-ylsulfonylmethyl)-1-benzofuran-7-yl]methanamine
CID 117180942
N-[[7-(aminomethyl)-1-benzofuran-3-yl]methyl]propan-2-amine
CID 117180965
CID 68890208
CID 68890208
7-(aminomethyl)-1-benzothiophene-3-carboxylic acid
CID 84779591
7-(2H-tetrazol-5-yl)-1-benzofuran-3-carboxylic acid
CID 169234893
3-(aminomethyl)-2-methoxybenzoic acid;hydrochloride
CID 140688179
3-methyl-1-benzofuran-7-carboxylic acid
CID 15643781
[3-[(3-chlorophenoxy)methyl]-1-benzofuran-7-yl]methanamine
CID 117180951
8-hydroxy-1-oxoisochromene-4-carboxylic acid
CID 5375809
3-[(4-methoxyphenoxy)methyl]-1-benzofuran-7-carboxylic acid
CID 117181179
3-[(3-hydroxyphenoxy)methyl]-1-benzofuran-7-carboxylic acid
CID 117181173
3-[(4-fluorophenoxy)methyl]-1-benzofuran-7-carboxylic acid
CID 117181176

Frequently Asked Questions

What is the IUPAC name of 7-(aminomethyl)-1-benzofuran-3-carboxylic acid?
The IUPAC name of 7-(aminomethyl)-1-benzofuran-3-carboxylic acid (CID 84771746) is 7-(aminomethyl)-1-benzofuran-3-carboxylic acid.
What is the SMILES notation for 7-(aminomethyl)-1-benzofuran-3-carboxylic acid?
The canonical SMILES for 7-(aminomethyl)-1-benzofuran-3-carboxylic acid is NCc1cccc2c(C(=O)O)coc12.
What is the InChIKey of 7-(aminomethyl)-1-benzofuran-3-carboxylic acid?
The InChIKey is IEBZWEYCEVSCSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO3/c11-4-6-2-1-3-7-8(10(12)13)5-14-9(6)7/h1-3,5H,4,11H2,(H,12,13).
What are the key properties of 7-(aminomethyl)-1-benzofuran-3-carboxylic acid?
7-(aminomethyl)-1-benzofuran-3-carboxylic acid has a molecular weight of 191.19 g/mol, XLogP of 1.59, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(aminomethyl)-1-benzofuran-3-carboxylic acid is sourced from PubChem (CID 84771746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).