methyl 5-(2-aminophenyl)furan-2-carboxylate

C12H11NO3 — CID 5192714

IUPACmethyl 5-(2-aminophenyl)furan-2-carboxylate
SMILESCOC(=O)c1ccc(-c2ccccc2N)o1
InChIInChI=1S/C12H11NO3/c1-15-12(14)11-7-6-10(16-11)8-4-2-3-5-9(8)13/h2-7H,13H2,1H3
InChIKeyVFWZTMZWNJSVMH-UHFFFAOYSA-N
MW217.22 g/mol
LogP2.32
Rot. Bonds2

About methyl 5-(2-aminophenyl)furan-2-carboxylate

methyl 5-(2-aminophenyl)furan-2-carboxylate (PubChem CID 5192714) has the molecular formula C12H11NO3 and a molecular weight of 217.22 g/mol. Its IUPAC name is methyl 5-(2-aminophenyl)furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(2-aminophenyl)furan-2-carboxylate
PubChem CID5192714
Molecular FormulaC12H11NO3
Molecular Weight217.22 g/mol
Exact Mass217.07
IUPAC Namemethyl 5-(2-aminophenyl)furan-2-carboxylate
SMILESCOC(=O)c1ccc(-c2ccccc2N)o1
InChIInChI=1S/C12H11NO3/c1-15-12(14)11-7-6-10(16-11)8-4-2-3-5-9(8)13/h2-7H,13H2,1H3
InChIKeyVFWZTMZWNJSVMH-UHFFFAOYSA-N
XLogP2.32
TPSA65.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 5-(2-aminophenyl)furan-2-carboxylate?
The IUPAC name of methyl 5-(2-aminophenyl)furan-2-carboxylate (CID 5192714) is methyl 5-(2-aminophenyl)furan-2-carboxylate.
What is the SMILES notation for methyl 5-(2-aminophenyl)furan-2-carboxylate?
The canonical SMILES for methyl 5-(2-aminophenyl)furan-2-carboxylate is COC(=O)c1ccc(-c2ccccc2N)o1.
What is the InChIKey of methyl 5-(2-aminophenyl)furan-2-carboxylate?
The InChIKey is VFWZTMZWNJSVMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3/c1-15-12(14)11-7-6-10(16-11)8-4-2-3-5-9(8)13/h2-7H,13H2,1H3.
What are the key properties of methyl 5-(2-aminophenyl)furan-2-carboxylate?
methyl 5-(2-aminophenyl)furan-2-carboxylate has a molecular weight of 217.22 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(2-aminophenyl)furan-2-carboxylate is sourced from PubChem (CID 5192714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).