5-(2,3-dihydro-1-benzofuran-6-yl)-2H-tetrazole

C9H8N4O — CID 58740446

IUPAC5-(2,3-dihydro-1-benzofuran-6-yl)-2H-tetrazole
SMILESc1cc2c(cc1-c1nn[nH]n1)OCC2
InChIInChI=1S/C9H8N4O/c1-2-7(9-10-12-13-11-9)5-8-6(1)3-4-14-8/h1-2,5H,3-4H2,(H,10,11,12,13)
InChIKeySJNFMUXMLGKEOU-UHFFFAOYSA-N
MW188.19 g/mol
LogP0.80
Rot. Bonds1

About 5-(2,3-dihydro-1-benzofuran-6-yl)-2H-tetrazole

5-(2,3-dihydro-1-benzofuran-6-yl)-2H-tetrazole (PubChem CID 58740446) has the molecular formula C9H8N4O and a molecular weight of 188.19 g/mol. Its IUPAC name is 5-(2,3-dihydro-1-benzofuran-6-yl)-2H-tetrazole.

Molecular Properties

Compound Name5-(2,3-dihydro-1-benzofuran-6-yl)-2H-tetrazole
PubChem CID58740446
Molecular FormulaC9H8N4O
Molecular Weight188.19 g/mol
Exact Mass188.07
IUPAC Name5-(2,3-dihydro-1-benzofuran-6-yl)-2H-tetrazole
SMILESc1cc2c(cc1-c1nn[nH]n1)OCC2
InChIInChI=1S/C9H8N4O/c1-2-7(9-10-12-13-11-9)5-8-6(1)3-4-14-8/h1-2,5H,3-4H2,(H,10,11,12,13)
InChIKeySJNFMUXMLGKEOU-UHFFFAOYSA-N
XLogP0.80
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1-benzofuran-6-yl)-2H-tetrazole?
The IUPAC name of 5-(2,3-dihydro-1-benzofuran-6-yl)-2H-tetrazole (CID 58740446) is 5-(2,3-dihydro-1-benzofuran-6-yl)-2H-tetrazole.
What is the SMILES notation for 5-(2,3-dihydro-1-benzofuran-6-yl)-2H-tetrazole?
The canonical SMILES for 5-(2,3-dihydro-1-benzofuran-6-yl)-2H-tetrazole is c1cc2c(cc1-c1nn[nH]n1)OCC2.
What is the InChIKey of 5-(2,3-dihydro-1-benzofuran-6-yl)-2H-tetrazole?
The InChIKey is SJNFMUXMLGKEOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O/c1-2-7(9-10-12-13-11-9)5-8-6(1)3-4-14-8/h1-2,5H,3-4H2,(H,10,11,12,13).
What are the key properties of 5-(2,3-dihydro-1-benzofuran-6-yl)-2H-tetrazole?
5-(2,3-dihydro-1-benzofuran-6-yl)-2H-tetrazole has a molecular weight of 188.19 g/mol, XLogP of 0.80, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1-benzofuran-6-yl)-2H-tetrazole is sourced from PubChem (CID 58740446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).