(4-ethylpyrrolidin-3-yl) N-tert-butylcarbamate

C11H22N2O2 — CID 155108973

IUPAC(4-ethylpyrrolidin-3-yl) N-tert-butylcarbamate
SMILESCCC1CNCC1OC(=O)NC(C)(C)C
InChIInChI=1S/C11H22N2O2/c1-5-8-6-12-7-9(8)15-10(14)13-11(2,3)4/h8-9,12H,5-7H2,1-4H3,(H,13,14)
InChIKeyCTNYQVVJVODUMT-UHFFFAOYSA-N
MW214.31 g/mol
LogP1.51
Rot. Bonds2

About (4-ethylpyrrolidin-3-yl) N-tert-butylcarbamate

(4-ethylpyrrolidin-3-yl) N-tert-butylcarbamate (PubChem CID 155108973) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is (4-ethylpyrrolidin-3-yl) N-tert-butylcarbamate.

Molecular Properties

Compound Name(4-ethylpyrrolidin-3-yl) N-tert-butylcarbamate
PubChem CID155108973
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name(4-ethylpyrrolidin-3-yl) N-tert-butylcarbamate
SMILESCCC1CNCC1OC(=O)NC(C)(C)C
InChIInChI=1S/C11H22N2O2/c1-5-8-6-12-7-9(8)15-10(14)13-11(2,3)4/h8-9,12H,5-7H2,1-4H3,(H,13,14)
InChIKeyCTNYQVVJVODUMT-UHFFFAOYSA-N
XLogP1.51
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-ethylpyrrolidin-3-yl) N-tert-butylcarbamate?
The IUPAC name of (4-ethylpyrrolidin-3-yl) N-tert-butylcarbamate (CID 155108973) is (4-ethylpyrrolidin-3-yl) N-tert-butylcarbamate.
What is the SMILES notation for (4-ethylpyrrolidin-3-yl) N-tert-butylcarbamate?
The canonical SMILES for (4-ethylpyrrolidin-3-yl) N-tert-butylcarbamate is CCC1CNCC1OC(=O)NC(C)(C)C.
What is the InChIKey of (4-ethylpyrrolidin-3-yl) N-tert-butylcarbamate?
The InChIKey is CTNYQVVJVODUMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-5-8-6-12-7-9(8)15-10(14)13-11(2,3)4/h8-9,12H,5-7H2,1-4H3,(H,13,14).
What are the key properties of (4-ethylpyrrolidin-3-yl) N-tert-butylcarbamate?
(4-ethylpyrrolidin-3-yl) N-tert-butylcarbamate has a molecular weight of 214.31 g/mol, XLogP of 1.51, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylpyrrolidin-3-yl) N-tert-butylcarbamate is sourced from PubChem (CID 155108973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).