5-(tetrazol-2-ylmethyl)-1-benzofuran-7-carbaldehyde

C11H8N4O2 — CID 21220935

IUPAC5-(tetrazol-2-ylmethyl)-1-benzofuran-7-carbaldehyde
SMILESO=Cc1cc(Cn2ncnn2)cc2ccoc12
InChIInChI=1S/C11H8N4O2/c16-6-10-4-8(5-15-13-7-12-14-15)3-9-1-2-17-11(9)10/h1-4,6-7H,5H2
InChIKeyDQWMUXYSYZCYLV-UHFFFAOYSA-N
MW228.21 g/mol
LogP1.28
Rot. Bonds3

About 5-(tetrazol-2-ylmethyl)-1-benzofuran-7-carbaldehyde

5-(tetrazol-2-ylmethyl)-1-benzofuran-7-carbaldehyde (PubChem CID 21220935) has the molecular formula C11H8N4O2 and a molecular weight of 228.21 g/mol. Its IUPAC name is 5-(tetrazol-2-ylmethyl)-1-benzofuran-7-carbaldehyde.

Molecular Properties

Compound Name5-(tetrazol-2-ylmethyl)-1-benzofuran-7-carbaldehyde
PubChem CID21220935
Molecular FormulaC11H8N4O2
Molecular Weight228.21 g/mol
Exact Mass228.06
IUPAC Name5-(tetrazol-2-ylmethyl)-1-benzofuran-7-carbaldehyde
SMILESO=Cc1cc(Cn2ncnn2)cc2ccoc12
InChIInChI=1S/C11H8N4O2/c16-6-10-4-8(5-15-13-7-12-14-15)3-9-1-2-17-11(9)10/h1-4,6-7H,5H2
InChIKeyDQWMUXYSYZCYLV-UHFFFAOYSA-N
XLogP1.28
TPSA73.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.21
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(tetrazol-2-ylmethyl)-1-benzofuran-7-carbaldehyde?
The IUPAC name of 5-(tetrazol-2-ylmethyl)-1-benzofuran-7-carbaldehyde (CID 21220935) is 5-(tetrazol-2-ylmethyl)-1-benzofuran-7-carbaldehyde.
What is the SMILES notation for 5-(tetrazol-2-ylmethyl)-1-benzofuran-7-carbaldehyde?
The canonical SMILES for 5-(tetrazol-2-ylmethyl)-1-benzofuran-7-carbaldehyde is O=Cc1cc(Cn2ncnn2)cc2ccoc12.
What is the InChIKey of 5-(tetrazol-2-ylmethyl)-1-benzofuran-7-carbaldehyde?
The InChIKey is DQWMUXYSYZCYLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4O2/c16-6-10-4-8(5-15-13-7-12-14-15)3-9-1-2-17-11(9)10/h1-4,6-7H,5H2.
What are the key properties of 5-(tetrazol-2-ylmethyl)-1-benzofuran-7-carbaldehyde?
5-(tetrazol-2-ylmethyl)-1-benzofuran-7-carbaldehyde has a molecular weight of 228.21 g/mol, XLogP of 1.28, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(tetrazol-2-ylmethyl)-1-benzofuran-7-carbaldehyde is sourced from PubChem (CID 21220935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).