tert-butyl (1-ethylpyrrolidin-2-yl) carbonate

C11H21NO3 — CID 54008196

IUPACtert-butyl (1-ethylpyrrolidin-2-yl) carbonate
SMILESCCN1CCCC1OC(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO3/c1-5-12-8-6-7-9(12)14-10(13)15-11(2,3)4/h9H,5-8H2,1-4H3
InChIKeySKGUSOKTQKFENK-UHFFFAOYSA-N
MW215.29 g/mol
LogP2.38
Rot. Bonds2

About tert-butyl (1-ethylpyrrolidin-2-yl) carbonate

tert-butyl (1-ethylpyrrolidin-2-yl) carbonate (PubChem CID 54008196) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is tert-butyl (1-ethylpyrrolidin-2-yl) carbonate.

Molecular Properties

Compound Nametert-butyl (1-ethylpyrrolidin-2-yl) carbonate
PubChem CID54008196
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Nametert-butyl (1-ethylpyrrolidin-2-yl) carbonate
SMILESCCN1CCCC1OC(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO3/c1-5-12-8-6-7-9(12)14-10(13)15-11(2,3)4/h9H,5-8H2,1-4H3
InChIKeySKGUSOKTQKFENK-UHFFFAOYSA-N
XLogP2.38
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (1-methylpyrrolidin-2-yl) carbonate
CID 54554292
tert-butyl 2-[(2S)-1-ethylpiperidin-2-yl]-2-oxoacetate
CID 175746898
tert-butyl 1-propylpyrrolidine-2-carboxylate
CID 23383587
tert-butyl 2-ethoxypyrrolidine-1-carboxylate
CID 11171930
tert-butyl 2-(2-ethylpyrrolidin-1-yl)acetate
CID 67953868
(2-methylpropan-2-yl)oxycarbonyl 1-ethylpiperidine-4-carboxylate
CID 57101274
tert-butyl (2S)-1-butylpyrrolidine-2-carboxylate
CID 81002235
tert-butyl (2R)-1-(aminomethyl)pyrrolidine-2-carboxylate
CID 93046631
tert-butyl N-[3-(1-ethylpiperidin-2-yl)propyl]carbamate
CID 83982209
tert-butyl (3-hydroxy-1-methoxy-2-oxo-1,3-diazinan-4-yl) carbonate
CID 155406485
tert-butyl (2R)-1-nonylpyrrolidine-2-carboxylate
CID 115537600
tert-butyl (2R)-1-(cyclopropylmethyl)pyrrolidine-2-carboxylate
CID 81002802

Frequently Asked Questions

What is the IUPAC name of tert-butyl (1-ethylpyrrolidin-2-yl) carbonate?
The IUPAC name of tert-butyl (1-ethylpyrrolidin-2-yl) carbonate (CID 54008196) is tert-butyl (1-ethylpyrrolidin-2-yl) carbonate.
What is the SMILES notation for tert-butyl (1-ethylpyrrolidin-2-yl) carbonate?
The canonical SMILES for tert-butyl (1-ethylpyrrolidin-2-yl) carbonate is CCN1CCCC1OC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (1-ethylpyrrolidin-2-yl) carbonate?
The InChIKey is SKGUSOKTQKFENK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-5-12-8-6-7-9(12)14-10(13)15-11(2,3)4/h9H,5-8H2,1-4H3.
What are the key properties of tert-butyl (1-ethylpyrrolidin-2-yl) carbonate?
tert-butyl (1-ethylpyrrolidin-2-yl) carbonate has a molecular weight of 215.29 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (1-ethylpyrrolidin-2-yl) carbonate is sourced from PubChem (CID 54008196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).