2-(2-acetylnaphthalen-1-yl)oxypropanenitrile

C15H13NO2 — CID 54941657

IUPAC2-(2-acetylnaphthalen-1-yl)oxypropanenitrile
SMILESCC(=O)c1ccc2ccccc2c1OC(C)C#N
InChIInChI=1S/C15H13NO2/c1-10(9-16)18-15-13(11(2)17)8-7-12-5-3-4-6-14(12)15/h3-8,10H,1-2H3
InChIKeyKZWKWXKJPYWFSV-UHFFFAOYSA-N
MW239.27 g/mol
LogP3.33
Rot. Bonds3

About 2-(2-acetylnaphthalen-1-yl)oxypropanenitrile

2-(2-acetylnaphthalen-1-yl)oxypropanenitrile (PubChem CID 54941657) has the molecular formula C15H13NO2 and a molecular weight of 239.27 g/mol. Its IUPAC name is 2-(2-acetylnaphthalen-1-yl)oxypropanenitrile.

Molecular Properties

Compound Name2-(2-acetylnaphthalen-1-yl)oxypropanenitrile
PubChem CID54941657
Molecular FormulaC15H13NO2
Molecular Weight239.27 g/mol
Exact Mass239.09
IUPAC Name2-(2-acetylnaphthalen-1-yl)oxypropanenitrile
SMILESCC(=O)c1ccc2ccccc2c1OC(C)C#N
InChIInChI=1S/C15H13NO2/c1-10(9-16)18-15-13(11(2)17)8-7-12-5-3-4-6-14(12)15/h3-8,10H,1-2H3
InChIKeyKZWKWXKJPYWFSV-UHFFFAOYSA-N
XLogP3.33
TPSA50.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(1-phenylethoxy)naphthalen-2-yl]ethanone
CID 143253129
[2-(1-cyanoethoxy)naphthalen-1-yl] acetate
CID 67786651
1-[1-(2-methylpropoxy)naphthalen-2-yl]ethanone
CID 43388547
1-[1-(3-bromo-2-methylpropoxy)naphthalen-2-yl]ethanone
CID 64995823
1-(1-difluoroboranyloxynaphthalen-2-yl)ethanone
CID 613064
1-(1-but-2-ynoxynaphthalen-2-yl)ethanone
CID 62312338
1-[1-(2-methylpentoxy)naphthalen-2-yl]ethanone
CID 63530568
1-[1-(4-bromobutoxy)naphthalen-2-yl]ethanone
CID 43475231
1-[1-(2-chloroprop-2-enoxy)naphthalen-2-yl]ethanone
CID 43388554
2-(2-acetyl-5-bromophenoxy)propanenitrile
CID 102948025
1-[1-[(E)-but-2-enoxy]naphthalen-2-yl]ethanone
CID 43474269
1-(1-hexoxynaphthalen-2-yl)ethanone
CID 43474263

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetylnaphthalen-1-yl)oxypropanenitrile?
The IUPAC name of 2-(2-acetylnaphthalen-1-yl)oxypropanenitrile (CID 54941657) is 2-(2-acetylnaphthalen-1-yl)oxypropanenitrile.
What is the SMILES notation for 2-(2-acetylnaphthalen-1-yl)oxypropanenitrile?
The canonical SMILES for 2-(2-acetylnaphthalen-1-yl)oxypropanenitrile is CC(=O)c1ccc2ccccc2c1OC(C)C#N.
What is the InChIKey of 2-(2-acetylnaphthalen-1-yl)oxypropanenitrile?
The InChIKey is KZWKWXKJPYWFSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2/c1-10(9-16)18-15-13(11(2)17)8-7-12-5-3-4-6-14(12)15/h3-8,10H,1-2H3.
What are the key properties of 2-(2-acetylnaphthalen-1-yl)oxypropanenitrile?
2-(2-acetylnaphthalen-1-yl)oxypropanenitrile has a molecular weight of 239.27 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetylnaphthalen-1-yl)oxypropanenitrile is sourced from PubChem (CID 54941657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).