2-[(1R,2S)-2-hydroxy-2-naphthalen-2-ylcyclopentyl]acetonitrile

C17H17NO — CID 154715400

IUPAC2-[(1R,2S)-2-hydroxy-2-naphthalen-2-ylcyclopentyl]acetonitrile
SMILESN#CC[C@H]1CCC[C@@]1(O)c1ccc2ccccc2c1
InChIInChI=1S/C17H17NO/c18-11-9-15-6-3-10-17(15,19)16-8-7-13-4-1-2-5-14(13)12-16/h1-2,4-5,7-8,12,15,19H,3,6,9-10H2/t15-,17+/m1/s1
InChIKeyFMEMAVLGXWLJSE-WBVHZDCISA-N
MW251.33 g/mol
LogP3.74
Rot. Bonds2

About 2-[(1R,2S)-2-hydroxy-2-naphthalen-2-ylcyclopentyl]acetonitrile

2-[(1R,2S)-2-hydroxy-2-naphthalen-2-ylcyclopentyl]acetonitrile (PubChem CID 154715400) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-[(1R,2S)-2-hydroxy-2-naphthalen-2-ylcyclopentyl]acetonitrile.

Molecular Properties

Compound Name2-[(1R,2S)-2-hydroxy-2-naphthalen-2-ylcyclopentyl]acetonitrile
PubChem CID154715400
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Name2-[(1R,2S)-2-hydroxy-2-naphthalen-2-ylcyclopentyl]acetonitrile
SMILESN#CC[C@H]1CCC[C@@]1(O)c1ccc2ccccc2c1
InChIInChI=1S/C17H17NO/c18-11-9-15-6-3-10-17(15,19)16-8-7-13-4-1-2-5-14(13)12-16/h1-2,4-5,7-8,12,15,19H,3,6,9-10H2/t15-,17+/m1/s1
InChIKeyFMEMAVLGXWLJSE-WBVHZDCISA-N
XLogP3.74
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2S)-2-hydroxy-2-naphthalen-2-ylcyclopentyl]acetonitrile?
The IUPAC name of 2-[(1R,2S)-2-hydroxy-2-naphthalen-2-ylcyclopentyl]acetonitrile (CID 154715400) is 2-[(1R,2S)-2-hydroxy-2-naphthalen-2-ylcyclopentyl]acetonitrile.
What is the SMILES notation for 2-[(1R,2S)-2-hydroxy-2-naphthalen-2-ylcyclopentyl]acetonitrile?
The canonical SMILES for 2-[(1R,2S)-2-hydroxy-2-naphthalen-2-ylcyclopentyl]acetonitrile is N#CC[C@H]1CCC[C@@]1(O)c1ccc2ccccc2c1.
What is the InChIKey of 2-[(1R,2S)-2-hydroxy-2-naphthalen-2-ylcyclopentyl]acetonitrile?
The InChIKey is FMEMAVLGXWLJSE-WBVHZDCISA-N. The full InChI is InChI=1S/C17H17NO/c18-11-9-15-6-3-10-17(15,19)16-8-7-13-4-1-2-5-14(13)12-16/h1-2,4-5,7-8,12,15,19H,3,6,9-10H2/t15-,17+/m1/s1.
What are the key properties of 2-[(1R,2S)-2-hydroxy-2-naphthalen-2-ylcyclopentyl]acetonitrile?
2-[(1R,2S)-2-hydroxy-2-naphthalen-2-ylcyclopentyl]acetonitrile has a molecular weight of 251.33 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2S)-2-hydroxy-2-naphthalen-2-ylcyclopentyl]acetonitrile is sourced from PubChem (CID 154715400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).