methyl 3-amino-1-benzofuran-2-carboxylate

C10H9NO3 — CID 674268

IUPACmethyl 3-amino-1-benzofuran-2-carboxylate
SMILESCOC(=O)c1oc2ccccc2c1N
InChIInChI=1S/C10H9NO3/c1-13-10(12)9-8(11)6-4-2-3-5-7(6)14-9/h2-5H,11H2,1H3
InChIKeyOBUMBRZSVRGWFY-UHFFFAOYSA-N
MW191.19 g/mol
LogP1.80
Rot. Bonds1

About methyl 3-amino-1-benzofuran-2-carboxylate

methyl 3-amino-1-benzofuran-2-carboxylate (PubChem CID 674268) has the molecular formula C10H9NO3 and a molecular weight of 191.19 g/mol. Its IUPAC name is methyl 3-amino-1-benzofuran-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-1-benzofuran-2-carboxylate
PubChem CID674268
Molecular FormulaC10H9NO3
Molecular Weight191.19 g/mol
Exact Mass191.06
IUPAC Namemethyl 3-amino-1-benzofuran-2-carboxylate
SMILESCOC(=O)c1oc2ccccc2c1N
InChIInChI=1S/C10H9NO3/c1-13-10(12)9-8(11)6-4-2-3-5-7(6)14-9/h2-5H,11H2,1H3
InChIKeyOBUMBRZSVRGWFY-UHFFFAOYSA-N
XLogP1.80
TPSA65.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-1-benzofuran-2-carboxylate?
The IUPAC name of methyl 3-amino-1-benzofuran-2-carboxylate (CID 674268) is methyl 3-amino-1-benzofuran-2-carboxylate.
What is the SMILES notation for methyl 3-amino-1-benzofuran-2-carboxylate?
The canonical SMILES for methyl 3-amino-1-benzofuran-2-carboxylate is COC(=O)c1oc2ccccc2c1N.
What is the InChIKey of methyl 3-amino-1-benzofuran-2-carboxylate?
The InChIKey is OBUMBRZSVRGWFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO3/c1-13-10(12)9-8(11)6-4-2-3-5-7(6)14-9/h2-5H,11H2,1H3.
What are the key properties of methyl 3-amino-1-benzofuran-2-carboxylate?
methyl 3-amino-1-benzofuran-2-carboxylate has a molecular weight of 191.19 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-1-benzofuran-2-carboxylate is sourced from PubChem (CID 674268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).