2-(5,8-dihydronaphthalen-1-yloxy)propanenitrile

C13H13NO — CID 12894956

IUPAC2-(5,8-dihydronaphthalen-1-yloxy)propanenitrile
SMILESCC(C#N)Oc1cccc2c1CC=CC2
InChIInChI=1S/C13H13NO/c1-10(9-14)15-13-8-4-6-11-5-2-3-7-12(11)13/h2-4,6,8,10H,5,7H2,1H3
InChIKeyFOVKZERZHNGGME-UHFFFAOYSA-N
MW199.25 g/mol
LogP2.63
Rot. Bonds2

About 2-(5,8-dihydronaphthalen-1-yloxy)propanenitrile

2-(5,8-dihydronaphthalen-1-yloxy)propanenitrile (PubChem CID 12894956) has the molecular formula C13H13NO and a molecular weight of 199.25 g/mol. Its IUPAC name is 2-(5,8-dihydronaphthalen-1-yloxy)propanenitrile.

Molecular Properties

Compound Name2-(5,8-dihydronaphthalen-1-yloxy)propanenitrile
PubChem CID12894956
Molecular FormulaC13H13NO
Molecular Weight199.25 g/mol
Exact Mass199.10
IUPAC Name2-(5,8-dihydronaphthalen-1-yloxy)propanenitrile
SMILESCC(C#N)Oc1cccc2c1CC=CC2
InChIInChI=1S/C13H13NO/c1-10(9-14)15-13-8-4-6-11-5-2-3-7-12(11)13/h2-4,6,8,10H,5,7H2,1H3
InChIKeyFOVKZERZHNGGME-UHFFFAOYSA-N
XLogP2.63
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(5,8-dihydronaphthalen-1-yloxy)propanenitrile?
The IUPAC name of 2-(5,8-dihydronaphthalen-1-yloxy)propanenitrile (CID 12894956) is 2-(5,8-dihydronaphthalen-1-yloxy)propanenitrile.
What is the SMILES notation for 2-(5,8-dihydronaphthalen-1-yloxy)propanenitrile?
The canonical SMILES for 2-(5,8-dihydronaphthalen-1-yloxy)propanenitrile is CC(C#N)Oc1cccc2c1CC=CC2.
What is the InChIKey of 2-(5,8-dihydronaphthalen-1-yloxy)propanenitrile?
The InChIKey is FOVKZERZHNGGME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO/c1-10(9-14)15-13-8-4-6-11-5-2-3-7-12(11)13/h2-4,6,8,10H,5,7H2,1H3.
What are the key properties of 2-(5,8-dihydronaphthalen-1-yloxy)propanenitrile?
2-(5,8-dihydronaphthalen-1-yloxy)propanenitrile has a molecular weight of 199.25 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,8-dihydronaphthalen-1-yloxy)propanenitrile is sourced from PubChem (CID 12894956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).