ethyl 3-amino-1-benzofuran-2-carboxylate

C11H11NO3 — CID 2063537

IUPACethyl 3-amino-1-benzofuran-2-carboxylate
SMILESCCOC(=O)c1oc2ccccc2c1N
InChIInChI=1S/C11H11NO3/c1-2-14-11(13)10-9(12)7-5-3-4-6-8(7)15-10/h3-6H,2,12H2,1H3
InChIKeyPWOARNMOPCOJEV-UHFFFAOYSA-N
MW205.21 g/mol
LogP2.19
Rot. Bonds2

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

ethyl 3-amino-1-benzofuran-2-carboxylate (PubChem CID 2063537) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is ethyl 3-amino-1-benzofuran-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-amino-1-benzofuran-2-carboxylate
PubChem CID2063537
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Nameethyl 3-amino-1-benzofuran-2-carboxylate
SMILESCCOC(=O)c1oc2ccccc2c1N
InChIInChI=1S/C11H11NO3/c1-2-14-11(13)10-9(12)7-5-3-4-6-8(7)15-10/h3-6H,2,12H2,1H3
InChIKeyPWOARNMOPCOJEV-UHFFFAOYSA-N
XLogP2.19
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 ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-1-benzofuran-2-carboxylate?
The IUPAC name of ethyl 3-amino-1-benzofuran-2-carboxylate (CID 2063537) is ethyl 3-amino-1-benzofuran-2-carboxylate.
What is the SMILES notation for ethyl 3-amino-1-benzofuran-2-carboxylate?
The canonical SMILES for ethyl 3-amino-1-benzofuran-2-carboxylate is CCOC(=O)c1oc2ccccc2c1N.
What is the InChIKey of ethyl 3-amino-1-benzofuran-2-carboxylate?
The InChIKey is PWOARNMOPCOJEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c1-2-14-11(13)10-9(12)7-5-3-4-6-8(7)15-10/h3-6H,2,12H2,1H3.
What are the key properties of ethyl 3-amino-1-benzofuran-2-carboxylate?
ethyl 3-amino-1-benzofuran-2-carboxylate has a molecular weight of 205.21 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-1-benzofuran-2-carboxylate is sourced from PubChem (CID 2063537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).