(2S)-2-tert-butyl-1-(deuteriomethyl)pyrrolidine

C9H19N — CID 59035477

IUPAC(2S)-2-tert-butyl-1-(deuteriomethyl)pyrrolidine
SMILES[2H]CN1CCC[C@H]1C(C)(C)C
InChIInChI=1S/C9H19N/c1-9(2,3)8-6-5-7-10(8)4/h8H,5-7H2,1-4H3/t8-/m0/s1/i4D
InChIKeyWQSWGYXEWBYSAT-VXAWTPICSA-N
MW142.26 g/mol
LogP2.13
Rot. Bonds1

About (2S)-2-tert-butyl-1-(deuteriomethyl)pyrrolidine

(2S)-2-tert-butyl-1-(deuteriomethyl)pyrrolidine (PubChem CID 59035477) has the molecular formula C9H19N and a molecular weight of 142.26 g/mol. Its IUPAC name is (2S)-2-tert-butyl-1-(deuteriomethyl)pyrrolidine.

Molecular Properties

Compound Name(2S)-2-tert-butyl-1-(deuteriomethyl)pyrrolidine
PubChem CID59035477
Molecular FormulaC9H19N
Molecular Weight142.26 g/mol
Exact Mass142.16
IUPAC Name(2S)-2-tert-butyl-1-(deuteriomethyl)pyrrolidine
SMILES[2H]CN1CCC[C@H]1C(C)(C)C
InChIInChI=1S/C9H19N/c1-9(2,3)8-6-5-7-10(8)4/h8H,5-7H2,1-4H3/t8-/m0/s1/i4D
InChIKeyWQSWGYXEWBYSAT-VXAWTPICSA-N
XLogP2.13
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.26
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-tert-butyl-1-(deuteriomethyl)pyrrolidine?
The IUPAC name of (2S)-2-tert-butyl-1-(deuteriomethyl)pyrrolidine (CID 59035477) is (2S)-2-tert-butyl-1-(deuteriomethyl)pyrrolidine.
What is the SMILES notation for (2S)-2-tert-butyl-1-(deuteriomethyl)pyrrolidine?
The canonical SMILES for (2S)-2-tert-butyl-1-(deuteriomethyl)pyrrolidine is [2H]CN1CCC[C@H]1C(C)(C)C.
What is the InChIKey of (2S)-2-tert-butyl-1-(deuteriomethyl)pyrrolidine?
The InChIKey is WQSWGYXEWBYSAT-VXAWTPICSA-N. The full InChI is InChI=1S/C9H19N/c1-9(2,3)8-6-5-7-10(8)4/h8H,5-7H2,1-4H3/t8-/m0/s1/i4D.
What are the key properties of (2S)-2-tert-butyl-1-(deuteriomethyl)pyrrolidine?
(2S)-2-tert-butyl-1-(deuteriomethyl)pyrrolidine has a molecular weight of 142.26 g/mol, XLogP of 2.13, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-tert-butyl-1-(deuteriomethyl)pyrrolidine is sourced from PubChem (CID 59035477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).