3-methyl-3-naphthalen-2-yloxybutanenitrile

C15H15NO — CID 82080814

IUPAC3-methyl-3-naphthalen-2-yloxybutanenitrile
SMILESCC(C)(CC#N)Oc1ccc2ccccc2c1
InChIInChI=1S/C15H15NO/c1-15(2,9-10-16)17-14-8-7-12-5-3-4-6-13(12)11-14/h3-8,11H,9H2,1-2H3
InChIKeyYWNCDFIRKNEGPW-UHFFFAOYSA-N
MW225.29 g/mol
LogP3.91
Rot. Bonds3

About 3-methyl-3-naphthalen-2-yloxybutanenitrile

3-methyl-3-naphthalen-2-yloxybutanenitrile (PubChem CID 82080814) has the molecular formula C15H15NO and a molecular weight of 225.29 g/mol. Its IUPAC name is 3-methyl-3-naphthalen-2-yloxybutanenitrile.

Molecular Properties

Compound Name3-methyl-3-naphthalen-2-yloxybutanenitrile
PubChem CID82080814
Molecular FormulaC15H15NO
Molecular Weight225.29 g/mol
Exact Mass225.12
IUPAC Name3-methyl-3-naphthalen-2-yloxybutanenitrile
SMILESCC(C)(CC#N)Oc1ccc2ccccc2c1
InChIInChI=1S/C15H15NO/c1-15(2,9-10-16)17-14-8-7-12-5-3-4-6-13(12)11-14/h3-8,11H,9H2,1-2H3
InChIKeyYWNCDFIRKNEGPW-UHFFFAOYSA-N
XLogP3.91
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-naphthalen-2-yloxybutanenitrile?
The IUPAC name of 3-methyl-3-naphthalen-2-yloxybutanenitrile (CID 82080814) is 3-methyl-3-naphthalen-2-yloxybutanenitrile.
What is the SMILES notation for 3-methyl-3-naphthalen-2-yloxybutanenitrile?
The canonical SMILES for 3-methyl-3-naphthalen-2-yloxybutanenitrile is CC(C)(CC#N)Oc1ccc2ccccc2c1.
What is the InChIKey of 3-methyl-3-naphthalen-2-yloxybutanenitrile?
The InChIKey is YWNCDFIRKNEGPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO/c1-15(2,9-10-16)17-14-8-7-12-5-3-4-6-13(12)11-14/h3-8,11H,9H2,1-2H3.
What are the key properties of 3-methyl-3-naphthalen-2-yloxybutanenitrile?
3-methyl-3-naphthalen-2-yloxybutanenitrile has a molecular weight of 225.29 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-naphthalen-2-yloxybutanenitrile is sourced from PubChem (CID 82080814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).