[(1R)-1-cyanoethyl] 2-naphthalen-2-yloxyacetate

C15H13NO3 — CID 8821377

IUPAC[(1R)-1-cyanoethyl] 2-naphthalen-2-yloxyacetate
SMILESC[C@H](C#N)OC(=O)COc1ccc2ccccc2c1
InChIInChI=1S/C15H13NO3/c1-11(9-16)19-15(17)10-18-14-7-6-12-4-2-3-5-13(12)8-14/h2-8,11H,10H2,1H3/t11-/m1/s1
InChIKeyCFJLWKFVNMKKFU-LLVKDONJSA-N
MW255.27 g/mol
LogP2.67
Rot. Bonds4

About [(1R)-1-cyanoethyl] 2-naphthalen-2-yloxyacetate

[(1R)-1-cyanoethyl] 2-naphthalen-2-yloxyacetate (PubChem CID 8821377) has the molecular formula C15H13NO3 and a molecular weight of 255.27 g/mol. Its IUPAC name is [(1R)-1-cyanoethyl] 2-naphthalen-2-yloxyacetate.

Molecular Properties

Compound Name[(1R)-1-cyanoethyl] 2-naphthalen-2-yloxyacetate
PubChem CID8821377
Molecular FormulaC15H13NO3
Molecular Weight255.27 g/mol
Exact Mass255.09
IUPAC Name[(1R)-1-cyanoethyl] 2-naphthalen-2-yloxyacetate
SMILESC[C@H](C#N)OC(=O)COc1ccc2ccccc2c1
InChIInChI=1S/C15H13NO3/c1-11(9-16)19-15(17)10-18-14-7-6-12-4-2-3-5-13(12)8-14/h2-8,11H,10H2,1H3/t11-/m1/s1
InChIKeyCFJLWKFVNMKKFU-LLVKDONJSA-N
XLogP2.67
TPSA59.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(1R)-1-cyanoethyl] 2-naphthalen-2-yloxyacetate?
The IUPAC name of [(1R)-1-cyanoethyl] 2-naphthalen-2-yloxyacetate (CID 8821377) is [(1R)-1-cyanoethyl] 2-naphthalen-2-yloxyacetate.
What is the SMILES notation for [(1R)-1-cyanoethyl] 2-naphthalen-2-yloxyacetate?
The canonical SMILES for [(1R)-1-cyanoethyl] 2-naphthalen-2-yloxyacetate is C[C@H](C#N)OC(=O)COc1ccc2ccccc2c1.
What is the InChIKey of [(1R)-1-cyanoethyl] 2-naphthalen-2-yloxyacetate?
The InChIKey is CFJLWKFVNMKKFU-LLVKDONJSA-N. The full InChI is InChI=1S/C15H13NO3/c1-11(9-16)19-15(17)10-18-14-7-6-12-4-2-3-5-13(12)8-14/h2-8,11H,10H2,1H3/t11-/m1/s1.
What are the key properties of [(1R)-1-cyanoethyl] 2-naphthalen-2-yloxyacetate?
[(1R)-1-cyanoethyl] 2-naphthalen-2-yloxyacetate has a molecular weight of 255.27 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-cyanoethyl] 2-naphthalen-2-yloxyacetate is sourced from PubChem (CID 8821377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).