tert-butyl 3-(1-pyrazin-2-ylethoxy)pyrrolidine-1-carboxylate

C15H23N3O3 — CID 71633662

IUPACtert-butyl 3-(1-pyrazin-2-ylethoxy)pyrrolidine-1-carboxylate
SMILESCC(OC1CCN(C(=O)OC(C)(C)C)C1)c1cnccn1
InChIInChI=1S/C15H23N3O3/c1-11(13-9-16-6-7-17-13)20-12-5-8-18(10-12)14(19)21-15(2,3)4/h6-7,9,11-12H,5,8,10H2,1-4H3
InChIKeyRRFDBFJKTAREIQ-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.56
Rot. Bonds3

About tert-butyl 3-(1-pyrazin-2-ylethoxy)pyrrolidine-1-carboxylate

tert-butyl 3-(1-pyrazin-2-ylethoxy)pyrrolidine-1-carboxylate (PubChem CID 71633662) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is tert-butyl 3-(1-pyrazin-2-ylethoxy)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(1-pyrazin-2-ylethoxy)pyrrolidine-1-carboxylate
PubChem CID71633662
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Nametert-butyl 3-(1-pyrazin-2-ylethoxy)pyrrolidine-1-carboxylate
SMILESCC(OC1CCN(C(=O)OC(C)(C)C)C1)c1cnccn1
InChIInChI=1S/C15H23N3O3/c1-11(13-9-16-6-7-17-13)20-12-5-8-18(10-12)14(19)21-15(2,3)4/h6-7,9,11-12H,5,8,10H2,1-4H3
InChIKeyRRFDBFJKTAREIQ-UHFFFAOYSA-N
XLogP2.56
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 3-(1-pyrazin-2-ylethoxy)piperidine-1-carboxylate
CID 71633656
tert-butyl 4-[(1S)-1-pyrazin-2-ylethoxy]piperidine-1-carboxylate
CID 97175835
tert-butyl (3R)-3-[[(1R)-1-pyrazin-2-ylethoxy]methyl]pyrrolidine-1-carboxylate
CID 97175928
tert-butyl (3S)-3-[methyl(1-pyrazin-2-ylethyl)amino]pyrrolidine-1-carboxylate
CID 71633228
tert-butyl (3S)-3-[[(1S)-1-pyrazin-2-ylethyl]amino]pyrrolidine-1-carboxylate
CID 97175478
tert-butyl 4-[[(1S)-1-pyrazin-2-ylethyl]amino]piperidine-1-carboxylate
CID 97175693
tert-butyl (3S)-3-[[(1S)-1-pyrazin-2-ylethoxy]methyl]piperidine-1-carboxylate
CID 97175881
tert-butyl 4-[3-[(1S)-1-pyrazin-2-ylethoxy]propyl]piperidine-1-carboxylate
CID 97176061
tert-butyl 3-[2-(1-pyrazin-2-ylethoxy)ethyl]piperidine-1-carboxylate
CID 71633709
tert-butyl 3-(pyrazin-2-ylmethoxy)pyrrolidine-1-carboxylate
CID 71629755
tert-butyl (3R)-3-methyl-4-[(1R)-1-pyrazin-2-ylethyl]piperazine-1-carboxylate
CID 129460598
tert-butyl (3S)-3-methyl-4-[(1R)-1-pyrazin-2-ylethyl]piperazine-1-carboxylate
CID 98084329

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(1-pyrazin-2-ylethoxy)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(1-pyrazin-2-ylethoxy)pyrrolidine-1-carboxylate (CID 71633662) is tert-butyl 3-(1-pyrazin-2-ylethoxy)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(1-pyrazin-2-ylethoxy)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(1-pyrazin-2-ylethoxy)pyrrolidine-1-carboxylate is CC(OC1CCN(C(=O)OC(C)(C)C)C1)c1cnccn1.
What is the InChIKey of tert-butyl 3-(1-pyrazin-2-ylethoxy)pyrrolidine-1-carboxylate?
The InChIKey is RRFDBFJKTAREIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-11(13-9-16-6-7-17-13)20-12-5-8-18(10-12)14(19)21-15(2,3)4/h6-7,9,11-12H,5,8,10H2,1-4H3.
What are the key properties of tert-butyl 3-(1-pyrazin-2-ylethoxy)pyrrolidine-1-carboxylate?
tert-butyl 3-(1-pyrazin-2-ylethoxy)pyrrolidine-1-carboxylate has a molecular weight of 293.37 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(1-pyrazin-2-ylethoxy)pyrrolidine-1-carboxylate is sourced from PubChem (CID 71633662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).