tert-butyl (2S)-2-naphthalen-2-ylpyrrolidine-1-carboxylate

C19H23NO2 — CID 15189988

IUPACtert-butyl (2S)-2-naphthalen-2-ylpyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@H]1c1ccc2ccccc2c1
InChIInChI=1S/C19H23NO2/c1-19(2,3)22-18(21)20-12-6-9-17(20)16-11-10-14-7-4-5-8-15(14)13-16/h4-5,7-8,10-11,13,17H,6,9,12H2,1-3H3/t17-/m0/s1
InChIKeyMOABNQPHUDXVDB-KRWDZBQOSA-N
MW297.40 g/mol
LogP4.91
Rot. Bonds1

About tert-butyl (2S)-2-naphthalen-2-ylpyrrolidine-1-carboxylate

tert-butyl (2S)-2-naphthalen-2-ylpyrrolidine-1-carboxylate (PubChem CID 15189988) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is tert-butyl (2S)-2-naphthalen-2-ylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-2-naphthalen-2-ylpyrrolidine-1-carboxylate
PubChem CID15189988
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Nametert-butyl (2S)-2-naphthalen-2-ylpyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@H]1c1ccc2ccccc2c1
InChIInChI=1S/C19H23NO2/c1-19(2,3)22-18(21)20-12-6-9-17(20)16-11-10-14-7-4-5-8-15(14)13-16/h4-5,7-8,10-11,13,17H,6,9,12H2,1-3H3/t17-/m0/s1
InChIKeyMOABNQPHUDXVDB-KRWDZBQOSA-N
XLogP4.91
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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5,5-dimethylhex-3-ynyl N-ethyl-N-(naphthalen-1-ylmethyl)carbamate
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4-(Hydroxymethyl)-3-[(4-methyl-1-naphthyl)methyl]-1,3-oxazolidin-2-one
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Tert-butyl 2-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-naphthalen-2-ylpyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2S)-2-naphthalen-2-ylpyrrolidine-1-carboxylate (CID 15189988) is tert-butyl (2S)-2-naphthalen-2-ylpyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S)-2-naphthalen-2-ylpyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S)-2-naphthalen-2-ylpyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC[C@H]1c1ccc2ccccc2c1.
What is the InChIKey of tert-butyl (2S)-2-naphthalen-2-ylpyrrolidine-1-carboxylate?
The InChIKey is MOABNQPHUDXVDB-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H23NO2/c1-19(2,3)22-18(21)20-12-6-9-17(20)16-11-10-14-7-4-5-8-15(14)13-16/h4-5,7-8,10-11,13,17H,6,9,12H2,1-3H3/t17-/m0/s1.
What are the key properties of tert-butyl (2S)-2-naphthalen-2-ylpyrrolidine-1-carboxylate?
tert-butyl (2S)-2-naphthalen-2-ylpyrrolidine-1-carboxylate has a molecular weight of 297.40 g/mol, XLogP of 4.91, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-naphthalen-2-ylpyrrolidine-1-carboxylate is sourced from PubChem (CID 15189988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).