5-(1,3,4-oxadiazol-2-yl)-7,8-dihydronaphthalene-2-carbonitrile

C13H9N3O — CID 18949034

IUPAC5-(1,3,4-oxadiazol-2-yl)-7,8-dihydronaphthalene-2-carbonitrile
SMILESN#Cc1ccc2c(c1)CCC=C2c1nnco1
InChIInChI=1S/C13H9N3O/c14-7-9-4-5-11-10(6-9)2-1-3-12(11)13-16-15-8-17-13/h3-6,8H,1-2H2
InChIKeyAMRRFUODLCGKTQ-UHFFFAOYSA-N
MW223.24 g/mol
LogP2.32
Rot. Bonds1

About 5-(1,3,4-oxadiazol-2-yl)-7,8-dihydronaphthalene-2-carbonitrile

5-(1,3,4-oxadiazol-2-yl)-7,8-dihydronaphthalene-2-carbonitrile (PubChem CID 18949034) has the molecular formula C13H9N3O and a molecular weight of 223.24 g/mol. Its IUPAC name is 5-(1,3,4-oxadiazol-2-yl)-7,8-dihydronaphthalene-2-carbonitrile.

Molecular Properties

Compound Name5-(1,3,4-oxadiazol-2-yl)-7,8-dihydronaphthalene-2-carbonitrile
PubChem CID18949034
Molecular FormulaC13H9N3O
Molecular Weight223.24 g/mol
Exact Mass223.07
IUPAC Name5-(1,3,4-oxadiazol-2-yl)-7,8-dihydronaphthalene-2-carbonitrile
SMILESN#Cc1ccc2c(c1)CCC=C2c1nnco1
InChIInChI=1S/C13H9N3O/c14-7-9-4-5-11-10(6-9)2-1-3-12(11)13-16-15-8-17-13/h3-6,8H,1-2H2
InChIKeyAMRRFUODLCGKTQ-UHFFFAOYSA-N
XLogP2.32
TPSA62.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1,3,4-oxadiazol-2-yl)-7,8-dihydronaphthalene-2-carbonitrile?
The IUPAC name of 5-(1,3,4-oxadiazol-2-yl)-7,8-dihydronaphthalene-2-carbonitrile (CID 18949034) is 5-(1,3,4-oxadiazol-2-yl)-7,8-dihydronaphthalene-2-carbonitrile.
What is the SMILES notation for 5-(1,3,4-oxadiazol-2-yl)-7,8-dihydronaphthalene-2-carbonitrile?
The canonical SMILES for 5-(1,3,4-oxadiazol-2-yl)-7,8-dihydronaphthalene-2-carbonitrile is N#Cc1ccc2c(c1)CCC=C2c1nnco1.
What is the InChIKey of 5-(1,3,4-oxadiazol-2-yl)-7,8-dihydronaphthalene-2-carbonitrile?
The InChIKey is AMRRFUODLCGKTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O/c14-7-9-4-5-11-10(6-9)2-1-3-12(11)13-16-15-8-17-13/h3-6,8H,1-2H2.
What are the key properties of 5-(1,3,4-oxadiazol-2-yl)-7,8-dihydronaphthalene-2-carbonitrile?
5-(1,3,4-oxadiazol-2-yl)-7,8-dihydronaphthalene-2-carbonitrile has a molecular weight of 223.24 g/mol, XLogP of 2.32, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3,4-oxadiazol-2-yl)-7,8-dihydronaphthalene-2-carbonitrile is sourced from PubChem (CID 18949034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).