4-(2-methyl-2,3-dihydro-1-benzofuran-7-yl)-1H-tetrazol-5-one

C10H10N4O2 — CID 135731679

IUPAC4-(2-methyl-2,3-dihydro-1-benzofuran-7-yl)-1H-tetrazol-5-one
SMILESCC1Cc2cccc(-n3nn[nH]c3=O)c2O1
InChIInChI=1S/C10H10N4O2/c1-6-5-7-3-2-4-8(9(7)16-6)14-10(15)11-12-13-14/h2-4,6H,5H2,1H3,(H,11,13,15)
InChIKeyGLCMOXINIRLZFH-UHFFFAOYSA-N
MW218.22 g/mol
LogP0.28
Rot. Bonds1

About 4-(2-methyl-2,3-dihydro-1-benzofuran-7-yl)-1H-tetrazol-5-one

4-(2-methyl-2,3-dihydro-1-benzofuran-7-yl)-1H-tetrazol-5-one (PubChem CID 135731679) has the molecular formula C10H10N4O2 and a molecular weight of 218.22 g/mol. Its IUPAC name is 4-(2-methyl-2,3-dihydro-1-benzofuran-7-yl)-1H-tetrazol-5-one.

Molecular Properties

Compound Name4-(2-methyl-2,3-dihydro-1-benzofuran-7-yl)-1H-tetrazol-5-one
PubChem CID135731679
Molecular FormulaC10H10N4O2
Molecular Weight218.22 g/mol
Exact Mass218.08
IUPAC Name4-(2-methyl-2,3-dihydro-1-benzofuran-7-yl)-1H-tetrazol-5-one
SMILESCC1Cc2cccc(-n3nn[nH]c3=O)c2O1
InChIInChI=1S/C10H10N4O2/c1-6-5-7-3-2-4-8(9(7)16-6)14-10(15)11-12-13-14/h2-4,6H,5H2,1H3,(H,11,13,15)
InChIKeyGLCMOXINIRLZFH-UHFFFAOYSA-N
XLogP0.28
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-2,3-dihydro-1-benzofuran-7-yl)-1H-tetrazol-5-one?
The IUPAC name of 4-(2-methyl-2,3-dihydro-1-benzofuran-7-yl)-1H-tetrazol-5-one (CID 135731679) is 4-(2-methyl-2,3-dihydro-1-benzofuran-7-yl)-1H-tetrazol-5-one.
What is the SMILES notation for 4-(2-methyl-2,3-dihydro-1-benzofuran-7-yl)-1H-tetrazol-5-one?
The canonical SMILES for 4-(2-methyl-2,3-dihydro-1-benzofuran-7-yl)-1H-tetrazol-5-one is CC1Cc2cccc(-n3nn[nH]c3=O)c2O1.
What is the InChIKey of 4-(2-methyl-2,3-dihydro-1-benzofuran-7-yl)-1H-tetrazol-5-one?
The InChIKey is GLCMOXINIRLZFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2/c1-6-5-7-3-2-4-8(9(7)16-6)14-10(15)11-12-13-14/h2-4,6H,5H2,1H3,(H,11,13,15).
What are the key properties of 4-(2-methyl-2,3-dihydro-1-benzofuran-7-yl)-1H-tetrazol-5-one?
4-(2-methyl-2,3-dihydro-1-benzofuran-7-yl)-1H-tetrazol-5-one has a molecular weight of 218.22 g/mol, XLogP of 0.28, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-2,3-dihydro-1-benzofuran-7-yl)-1H-tetrazol-5-one is sourced from PubChem (CID 135731679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).