7-methyl-6-(tetrazol-1-yl)-1,3-dihydroindol-2-one

C10H9N5O — CID 79603339

IUPAC7-methyl-6-(tetrazol-1-yl)-1,3-dihydroindol-2-one
SMILESCc1c(-n2cnnn2)ccc2c1NC(=O)C2
InChIInChI=1S/C10H9N5O/c1-6-8(15-5-11-13-14-15)3-2-7-4-9(16)12-10(6)7/h2-3,5H,4H2,1H3,(H,12,16)
InChIKeyVFINSTHBAVVUGR-UHFFFAOYSA-N
MW215.22 g/mol
LogP0.47
Rot. Bonds1

About 7-methyl-6-(tetrazol-1-yl)-1,3-dihydroindol-2-one

7-methyl-6-(tetrazol-1-yl)-1,3-dihydroindol-2-one (PubChem CID 79603339) has the molecular formula C10H9N5O and a molecular weight of 215.22 g/mol. Its IUPAC name is 7-methyl-6-(tetrazol-1-yl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name7-methyl-6-(tetrazol-1-yl)-1,3-dihydroindol-2-one
PubChem CID79603339
Molecular FormulaC10H9N5O
Molecular Weight215.22 g/mol
Exact Mass215.08
IUPAC Name7-methyl-6-(tetrazol-1-yl)-1,3-dihydroindol-2-one
SMILESCc1c(-n2cnnn2)ccc2c1NC(=O)C2
InChIInChI=1S/C10H9N5O/c1-6-8(15-5-11-13-14-15)3-2-7-4-9(16)12-10(6)7/h2-3,5H,4H2,1H3,(H,12,16)
InChIKeyVFINSTHBAVVUGR-UHFFFAOYSA-N
XLogP0.47
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.22
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-6-(tetrazol-1-yl)-1,3-dihydroindol-2-one?
The IUPAC name of 7-methyl-6-(tetrazol-1-yl)-1,3-dihydroindol-2-one (CID 79603339) is 7-methyl-6-(tetrazol-1-yl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 7-methyl-6-(tetrazol-1-yl)-1,3-dihydroindol-2-one?
The canonical SMILES for 7-methyl-6-(tetrazol-1-yl)-1,3-dihydroindol-2-one is Cc1c(-n2cnnn2)ccc2c1NC(=O)C2.
What is the InChIKey of 7-methyl-6-(tetrazol-1-yl)-1,3-dihydroindol-2-one?
The InChIKey is VFINSTHBAVVUGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5O/c1-6-8(15-5-11-13-14-15)3-2-7-4-9(16)12-10(6)7/h2-3,5H,4H2,1H3,(H,12,16).
What are the key properties of 7-methyl-6-(tetrazol-1-yl)-1,3-dihydroindol-2-one?
7-methyl-6-(tetrazol-1-yl)-1,3-dihydroindol-2-one has a molecular weight of 215.22 g/mol, XLogP of 0.47, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-6-(tetrazol-1-yl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 79603339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).