[(2R)-1-cyano-3-naphthalen-2-yloxypropan-2-yl] acetate

C16H15NO3 — CID 101129347

IUPAC[(2R)-1-cyano-3-naphthalen-2-yloxypropan-2-yl] acetate
SMILESCC(=O)O[C@H](CC#N)COc1ccc2ccccc2c1
InChIInChI=1S/C16H15NO3/c1-12(18)20-16(8-9-17)11-19-15-7-6-13-4-2-3-5-14(13)10-15/h2-7,10,16H,8,11H2,1H3/t16-/m1/s1
InChIKeyFNIFTSLTZBJSPU-MRXNPFEDSA-N
MW269.30 g/mol
LogP3.06
Rot. Bonds5

About [(2R)-1-cyano-3-naphthalen-2-yloxypropan-2-yl] acetate

[(2R)-1-cyano-3-naphthalen-2-yloxypropan-2-yl] acetate (PubChem CID 101129347) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is [(2R)-1-cyano-3-naphthalen-2-yloxypropan-2-yl] acetate.

Molecular Properties

Compound Name[(2R)-1-cyano-3-naphthalen-2-yloxypropan-2-yl] acetate
PubChem CID101129347
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Name[(2R)-1-cyano-3-naphthalen-2-yloxypropan-2-yl] acetate
SMILESCC(=O)O[C@H](CC#N)COc1ccc2ccccc2c1
InChIInChI=1S/C16H15NO3/c1-12(18)20-16(8-9-17)11-19-15-7-6-13-4-2-3-5-14(13)10-15/h2-7,10,16H,8,11H2,1H3/t16-/m1/s1
InChIKeyFNIFTSLTZBJSPU-MRXNPFEDSA-N
XLogP3.06
TPSA59.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2R)-1-cyano-3-naphthalen-2-yloxypropan-2-yl] acetate?
The IUPAC name of [(2R)-1-cyano-3-naphthalen-2-yloxypropan-2-yl] acetate (CID 101129347) is [(2R)-1-cyano-3-naphthalen-2-yloxypropan-2-yl] acetate.
What is the SMILES notation for [(2R)-1-cyano-3-naphthalen-2-yloxypropan-2-yl] acetate?
The canonical SMILES for [(2R)-1-cyano-3-naphthalen-2-yloxypropan-2-yl] acetate is CC(=O)O[C@H](CC#N)COc1ccc2ccccc2c1.
What is the InChIKey of [(2R)-1-cyano-3-naphthalen-2-yloxypropan-2-yl] acetate?
The InChIKey is FNIFTSLTZBJSPU-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H15NO3/c1-12(18)20-16(8-9-17)11-19-15-7-6-13-4-2-3-5-14(13)10-15/h2-7,10,16H,8,11H2,1H3/t16-/m1/s1.
What are the key properties of [(2R)-1-cyano-3-naphthalen-2-yloxypropan-2-yl] acetate?
[(2R)-1-cyano-3-naphthalen-2-yloxypropan-2-yl] acetate has a molecular weight of 269.30 g/mol, XLogP of 3.06, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-cyano-3-naphthalen-2-yloxypropan-2-yl] acetate is sourced from PubChem (CID 101129347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).