1-[(1S,2S)-2-(2-naphthalen-1-ylethoxy)cyclohexyl]pyrrolidin-3-one

C22H27NO2 — CID 10065677

IUPAC1-[(1S,2S)-2-(2-naphthalen-1-ylethoxy)cyclohexyl]pyrrolidin-3-one
SMILESO=C1CCN([C@H]2CCCC[C@@H]2OCCc2cccc3ccccc23)C1
InChIInChI=1S/C22H27NO2/c24-19-12-14-23(16-19)21-10-3-4-11-22(21)25-15-13-18-8-5-7-17-6-1-2-9-20(17)18/h1-2,5-9,21-22H,3-4,10-16H2/t21-,22-/m0/s1
InChIKeyOCJAMRRVVABJIC-VXKWHMMOSA-N
MW337.46 g/mol
LogP3.98
Rot. Bonds5

About 1-[(1S,2S)-2-(2-naphthalen-1-ylethoxy)cyclohexyl]pyrrolidin-3-one

1-[(1S,2S)-2-(2-naphthalen-1-ylethoxy)cyclohexyl]pyrrolidin-3-one (PubChem CID 10065677) has the molecular formula C22H27NO2 and a molecular weight of 337.46 g/mol. Its IUPAC name is 1-[(1S,2S)-2-(2-naphthalen-1-ylethoxy)cyclohexyl]pyrrolidin-3-one.

Molecular Properties

Compound Name1-[(1S,2S)-2-(2-naphthalen-1-ylethoxy)cyclohexyl]pyrrolidin-3-one
PubChem CID10065677
Molecular FormulaC22H27NO2
Molecular Weight337.46 g/mol
Exact Mass337.20
IUPAC Name1-[(1S,2S)-2-(2-naphthalen-1-ylethoxy)cyclohexyl]pyrrolidin-3-one
SMILESO=C1CCN([C@H]2CCCC[C@@H]2OCCc2cccc3ccccc23)C1
InChIInChI=1S/C22H27NO2/c24-19-12-14-23(16-19)21-10-3-4-11-22(21)25-15-13-18-8-5-7-17-6-1-2-9-20(17)18/h1-2,5-9,21-22H,3-4,10-16H2/t21-,22-/m0/s1
InChIKeyOCJAMRRVVABJIC-VXKWHMMOSA-N
XLogP3.98
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.46
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2S)-2-(2-naphthalen-1-ylethoxy)cyclohexyl]pyrrolidin-3-one?
The IUPAC name of 1-[(1S,2S)-2-(2-naphthalen-1-ylethoxy)cyclohexyl]pyrrolidin-3-one (CID 10065677) is 1-[(1S,2S)-2-(2-naphthalen-1-ylethoxy)cyclohexyl]pyrrolidin-3-one.
What is the SMILES notation for 1-[(1S,2S)-2-(2-naphthalen-1-ylethoxy)cyclohexyl]pyrrolidin-3-one?
The canonical SMILES for 1-[(1S,2S)-2-(2-naphthalen-1-ylethoxy)cyclohexyl]pyrrolidin-3-one is O=C1CCN([C@H]2CCCC[C@@H]2OCCc2cccc3ccccc23)C1.
What is the InChIKey of 1-[(1S,2S)-2-(2-naphthalen-1-ylethoxy)cyclohexyl]pyrrolidin-3-one?
The InChIKey is OCJAMRRVVABJIC-VXKWHMMOSA-N. The full InChI is InChI=1S/C22H27NO2/c24-19-12-14-23(16-19)21-10-3-4-11-22(21)25-15-13-18-8-5-7-17-6-1-2-9-20(17)18/h1-2,5-9,21-22H,3-4,10-16H2/t21-,22-/m0/s1.
What are the key properties of 1-[(1S,2S)-2-(2-naphthalen-1-ylethoxy)cyclohexyl]pyrrolidin-3-one?
1-[(1S,2S)-2-(2-naphthalen-1-ylethoxy)cyclohexyl]pyrrolidin-3-one has a molecular weight of 337.46 g/mol, XLogP of 3.98, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,2S)-2-(2-naphthalen-1-ylethoxy)cyclohexyl]pyrrolidin-3-one is sourced from PubChem (CID 10065677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).