2-naphthalen-1-yl-2-trimethylsilyloxypropanenitrile

C16H19NOSi — CID 10659616

IUPAC2-naphthalen-1-yl-2-trimethylsilyloxypropanenitrile
SMILESCC(C#N)(O[Si](C)(C)C)c1cccc2ccccc12
InChIInChI=1S/C16H19NOSi/c1-16(12-17,18-19(2,3)4)15-11-7-9-13-8-5-6-10-14(13)15/h5-11H,1-4H3
InChIKeyQXXVRMPJBUTFKG-UHFFFAOYSA-N
MW269.42 g/mol
LogP4.43
Rot. Bonds3

About 2-naphthalen-1-yl-2-trimethylsilyloxypropanenitrile

2-naphthalen-1-yl-2-trimethylsilyloxypropanenitrile (PubChem CID 10659616) has the molecular formula C16H19NOSi and a molecular weight of 269.42 g/mol. Its IUPAC name is 2-naphthalen-1-yl-2-trimethylsilyloxypropanenitrile.

Molecular Properties

Compound Name2-naphthalen-1-yl-2-trimethylsilyloxypropanenitrile
PubChem CID10659616
Molecular FormulaC16H19NOSi
Molecular Weight269.42 g/mol
Exact Mass269.12
IUPAC Name2-naphthalen-1-yl-2-trimethylsilyloxypropanenitrile
SMILESCC(C#N)(O[Si](C)(C)C)c1cccc2ccccc12
InChIInChI=1S/C16H19NOSi/c1-16(12-17,18-19(2,3)4)15-11-7-9-13-8-5-6-10-14(13)15/h5-11H,1-4H3
InChIKeyQXXVRMPJBUTFKG-UHFFFAOYSA-N
XLogP4.43
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.42
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-naphthalen-1-yl-2-trimethylsilyloxypropanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yl-2-trimethylsilyloxypropanenitrile?
The IUPAC name of 2-naphthalen-1-yl-2-trimethylsilyloxypropanenitrile (CID 10659616) is 2-naphthalen-1-yl-2-trimethylsilyloxypropanenitrile.
What is the SMILES notation for 2-naphthalen-1-yl-2-trimethylsilyloxypropanenitrile?
The canonical SMILES for 2-naphthalen-1-yl-2-trimethylsilyloxypropanenitrile is CC(C#N)(O[Si](C)(C)C)c1cccc2ccccc12.
What is the InChIKey of 2-naphthalen-1-yl-2-trimethylsilyloxypropanenitrile?
The InChIKey is QXXVRMPJBUTFKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NOSi/c1-16(12-17,18-19(2,3)4)15-11-7-9-13-8-5-6-10-14(13)15/h5-11H,1-4H3.
What are the key properties of 2-naphthalen-1-yl-2-trimethylsilyloxypropanenitrile?
2-naphthalen-1-yl-2-trimethylsilyloxypropanenitrile has a molecular weight of 269.42 g/mol, XLogP of 4.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yl-2-trimethylsilyloxypropanenitrile is sourced from PubChem (CID 10659616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).