4-amino-5-(1-benzofuran-2-ylmethyl)furan-2-carbaldehyde

C14H11NO3 — CID 82374154

IUPAC4-amino-5-(1-benzofuran-2-ylmethyl)furan-2-carbaldehyde
SMILESNc1cc(C=O)oc1Cc1cc2ccccc2o1
InChIInChI=1S/C14H11NO3/c15-12-6-11(8-16)18-14(12)7-10-5-9-3-1-2-4-13(9)17-10/h1-6,8H,7,15H2
InChIKeyZJQAMUAPAUQFMZ-UHFFFAOYSA-N
MW241.25 g/mol
LogP3.01
Rot. Bonds3

About 4-amino-5-(1-benzofuran-2-ylmethyl)furan-2-carbaldehyde

4-amino-5-(1-benzofuran-2-ylmethyl)furan-2-carbaldehyde (PubChem CID 82374154) has the molecular formula C14H11NO3 and a molecular weight of 241.25 g/mol. Its IUPAC name is 4-amino-5-(1-benzofuran-2-ylmethyl)furan-2-carbaldehyde.

Molecular Properties

Compound Name4-amino-5-(1-benzofuran-2-ylmethyl)furan-2-carbaldehyde
PubChem CID82374154
Molecular FormulaC14H11NO3
Molecular Weight241.25 g/mol
Exact Mass241.07
IUPAC Name4-amino-5-(1-benzofuran-2-ylmethyl)furan-2-carbaldehyde
SMILESNc1cc(C=O)oc1Cc1cc2ccccc2o1
InChIInChI=1S/C14H11NO3/c15-12-6-11(8-16)18-14(12)7-10-5-9-3-1-2-4-13(9)17-10/h1-6,8H,7,15H2
InChIKeyZJQAMUAPAUQFMZ-UHFFFAOYSA-N
XLogP3.01
TPSA69.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(1-benzofuran-2-ylmethyl)furan-2-carbaldehyde?
The IUPAC name of 4-amino-5-(1-benzofuran-2-ylmethyl)furan-2-carbaldehyde (CID 82374154) is 4-amino-5-(1-benzofuran-2-ylmethyl)furan-2-carbaldehyde.
What is the SMILES notation for 4-amino-5-(1-benzofuran-2-ylmethyl)furan-2-carbaldehyde?
The canonical SMILES for 4-amino-5-(1-benzofuran-2-ylmethyl)furan-2-carbaldehyde is Nc1cc(C=O)oc1Cc1cc2ccccc2o1.
What is the InChIKey of 4-amino-5-(1-benzofuran-2-ylmethyl)furan-2-carbaldehyde?
The InChIKey is ZJQAMUAPAUQFMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO3/c15-12-6-11(8-16)18-14(12)7-10-5-9-3-1-2-4-13(9)17-10/h1-6,8H,7,15H2.
What are the key properties of 4-amino-5-(1-benzofuran-2-ylmethyl)furan-2-carbaldehyde?
4-amino-5-(1-benzofuran-2-ylmethyl)furan-2-carbaldehyde has a molecular weight of 241.25 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-(1-benzofuran-2-ylmethyl)furan-2-carbaldehyde is sourced from PubChem (CID 82374154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).