4-(1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-amine

C11H11N3O — CID 151207873

IUPAC4-(1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-amine
SMILESNC1CCc2c(-c3ncon3)cccc21
InChIInChI=1S/C11H11N3O/c12-10-5-4-7-8(10)2-1-3-9(7)11-13-6-15-14-11/h1-3,6,10H,4-5,12H2
InChIKeyNJQRPPTVGAOUDX-UHFFFAOYSA-N
MW201.23 g/mol
LogP1.68
Rot. Bonds1

About 4-(1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-amine

4-(1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-amine (PubChem CID 151207873) has the molecular formula C11H11N3O and a molecular weight of 201.23 g/mol. Its IUPAC name is 4-(1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name4-(1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-amine
PubChem CID151207873
Molecular FormulaC11H11N3O
Molecular Weight201.23 g/mol
Exact Mass201.09
IUPAC Name4-(1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-amine
SMILESNC1CCc2c(-c3ncon3)cccc21
InChIInChI=1S/C11H11N3O/c12-10-5-4-7-8(10)2-1-3-9(7)11-13-6-15-14-11/h1-3,6,10H,4-5,12H2
InChIKeyNJQRPPTVGAOUDX-UHFFFAOYSA-N
XLogP1.68
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 4-(1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-amine (CID 151207873) is 4-(1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 4-(1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 4-(1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-amine is NC1CCc2c(-c3ncon3)cccc21.
What is the InChIKey of 4-(1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-amine?
The InChIKey is NJQRPPTVGAOUDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O/c12-10-5-4-7-8(10)2-1-3-9(7)11-13-6-15-14-11/h1-3,6,10H,4-5,12H2.
What are the key properties of 4-(1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-amine?
4-(1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-amine has a molecular weight of 201.23 g/mol, XLogP of 1.68, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 151207873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).