1-(2,3-dihydroindol-1-yl)-2-(5-phenyltetrazol-2-yl)ethanone

C17H15N5O — CID 2106057

IUPAC1-(2,3-dihydroindol-1-yl)-2-(5-phenyltetrazol-2-yl)ethanone
SMILESO=C(Cn1nnc(-c2ccccc2)n1)N1CCc2ccccc21
InChIInChI=1S/C17H15N5O/c23-16(21-11-10-13-6-4-5-9-15(13)21)12-22-19-17(18-20-22)14-7-2-1-3-8-14/h1-9H,10-12H2
InChIKeyDUNAWZQDWGHNEE-UHFFFAOYSA-N
MW305.34 g/mol
LogP1.93
Rot. Bonds3

About 1-(2,3-dihydroindol-1-yl)-2-(5-phenyltetrazol-2-yl)ethanone

1-(2,3-dihydroindol-1-yl)-2-(5-phenyltetrazol-2-yl)ethanone (PubChem CID 2106057) has the molecular formula C17H15N5O and a molecular weight of 305.34 g/mol. Its IUPAC name is 1-(2,3-dihydroindol-1-yl)-2-(5-phenyltetrazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(2,3-dihydroindol-1-yl)-2-(5-phenyltetrazol-2-yl)ethanone
PubChem CID2106057
Molecular FormulaC17H15N5O
Molecular Weight305.34 g/mol
Exact Mass305.13
IUPAC Name1-(2,3-dihydroindol-1-yl)-2-(5-phenyltetrazol-2-yl)ethanone
SMILESO=C(Cn1nnc(-c2ccccc2)n1)N1CCc2ccccc21
InChIInChI=1S/C17H15N5O/c23-16(21-11-10-13-6-4-5-9-15(13)21)12-22-19-17(18-20-22)14-7-2-1-3-8-14/h1-9H,10-12H2
InChIKeyDUNAWZQDWGHNEE-UHFFFAOYSA-N
XLogP1.93
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-(5-phenyltetrazol-2-yl)ethanone?
The IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-(5-phenyltetrazol-2-yl)ethanone (CID 2106057) is 1-(2,3-dihydroindol-1-yl)-2-(5-phenyltetrazol-2-yl)ethanone.
What is the SMILES notation for 1-(2,3-dihydroindol-1-yl)-2-(5-phenyltetrazol-2-yl)ethanone?
The canonical SMILES for 1-(2,3-dihydroindol-1-yl)-2-(5-phenyltetrazol-2-yl)ethanone is O=C(Cn1nnc(-c2ccccc2)n1)N1CCc2ccccc21.
What is the InChIKey of 1-(2,3-dihydroindol-1-yl)-2-(5-phenyltetrazol-2-yl)ethanone?
The InChIKey is DUNAWZQDWGHNEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O/c23-16(21-11-10-13-6-4-5-9-15(13)21)12-22-19-17(18-20-22)14-7-2-1-3-8-14/h1-9H,10-12H2.
What are the key properties of 1-(2,3-dihydroindol-1-yl)-2-(5-phenyltetrazol-2-yl)ethanone?
1-(2,3-dihydroindol-1-yl)-2-(5-phenyltetrazol-2-yl)ethanone has a molecular weight of 305.34 g/mol, XLogP of 1.93, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroindol-1-yl)-2-(5-phenyltetrazol-2-yl)ethanone is sourced from PubChem (CID 2106057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).