trans-ethyl (1S,2S)-2-(3-cyanopyrazin-2-yl)cyclopropane-1-carboxylate

C11H11N3O2 — CID 167375374

IUPACtrans-ethyl (1S,2S)-2-(3-cyanopyrazin-2-yl)cyclopropane-1-carboxylate
SMILESCCOC(=O)[C@H]1C[C@@H]1c1nccnc1C#N
InChIInChI=1S/C11H11N3O2/c1-2-16-11(15)8-5-7(8)10-9(6-12)13-3-4-14-10/h3-4,7-8H,2,5H2,1H3/t7-,8-/m0/s1
InChIKeyIWGGITHSHUDXOG-YUMQZZPRSA-N
MW217.23 g/mol
LogP1.01
Rot. Bonds3

About trans-ethyl (1S,2S)-2-(3-cyanopyrazin-2-yl)cyclopropane-1-carboxylate

trans-ethyl (1S,2S)-2-(3-cyanopyrazin-2-yl)cyclopropane-1-carboxylate (PubChem CID 167375374) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is trans-ethyl (1S,2S)-2-(3-cyanopyrazin-2-yl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Nametrans-ethyl (1S,2S)-2-(3-cyanopyrazin-2-yl)cyclopropane-1-carboxylate
PubChem CID167375374
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Nametrans-ethyl (1S,2S)-2-(3-cyanopyrazin-2-yl)cyclopropane-1-carboxylate
SMILESCCOC(=O)[C@H]1C[C@@H]1c1nccnc1C#N
InChIInChI=1S/C11H11N3O2/c1-2-16-11(15)8-5-7(8)10-9(6-12)13-3-4-14-10/h3-4,7-8H,2,5H2,1H3/t7-,8-/m0/s1
InChIKeyIWGGITHSHUDXOG-YUMQZZPRSA-N
XLogP1.01
TPSA75.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl (1S)-2-isoquinolin-1-ylcyclopropane-1-carboxylate
CID 90221399
trans-ethyl (1R,2R)-2-pyridin-2-ylcyclopropane-1-carboxylate
CID 66837013
ethyl (1S)-2-(6-chloroisoquinolin-1-yl)cyclopropane-1-carboxylate
CID 171099252
ethyl (1S)-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxylate
CID 171735423
ethyl 2-(1-methylimidazol-2-yl)cyclopropane-1-carboxylate
CID 135377625
trans-ethyl (1S,2S)-2-(4-amino-2-pyridinyl)cyclopropane-1-carboxylate
CID 129268949
ethyl 2-(2,3,4,5,6-pentafluorophenyl)cyclopropane-1-carboxylate
CID 87938295
trans-ethyl (1R,2R)-2-(5-methoxy-2-pyridinyl)cyclopropane-1-carboxylate
CID 177320992
trans-ethyl (1R,2R)-2-(5-hydroxy-2-pyridinyl)cyclopropane-1-carboxylate
CID 142405028
ethyl 2-(5-hydroxy-2-pyridinyl)cyclopropane-1-carboxylate
CID 153293789
ethyl 2-(5-chloropyrazin-2-yl)cyclopropane-1-carboxylate
CID 135262621
trans-ethyl (1R,2R)-2-(2-fluoro-4-pyridinyl)cyclopropane-1-carboxylate
CID 90220502

Frequently Asked Questions

What is the IUPAC name of trans-ethyl (1S,2S)-2-(3-cyanopyrazin-2-yl)cyclopropane-1-carboxylate?
The IUPAC name of trans-ethyl (1S,2S)-2-(3-cyanopyrazin-2-yl)cyclopropane-1-carboxylate (CID 167375374) is trans-ethyl (1S,2S)-2-(3-cyanopyrazin-2-yl)cyclopropane-1-carboxylate.
What is the SMILES notation for trans-ethyl (1S,2S)-2-(3-cyanopyrazin-2-yl)cyclopropane-1-carboxylate?
The canonical SMILES for trans-ethyl (1S,2S)-2-(3-cyanopyrazin-2-yl)cyclopropane-1-carboxylate is CCOC(=O)[C@H]1C[C@@H]1c1nccnc1C#N.
What is the InChIKey of trans-ethyl (1S,2S)-2-(3-cyanopyrazin-2-yl)cyclopropane-1-carboxylate?
The InChIKey is IWGGITHSHUDXOG-YUMQZZPRSA-N. The full InChI is InChI=1S/C11H11N3O2/c1-2-16-11(15)8-5-7(8)10-9(6-12)13-3-4-14-10/h3-4,7-8H,2,5H2,1H3/t7-,8-/m0/s1.
What are the key properties of trans-ethyl (1S,2S)-2-(3-cyanopyrazin-2-yl)cyclopropane-1-carboxylate?
trans-ethyl (1S,2S)-2-(3-cyanopyrazin-2-yl)cyclopropane-1-carboxylate has a molecular weight of 217.23 g/mol, XLogP of 1.01, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-ethyl (1S,2S)-2-(3-cyanopyrazin-2-yl)cyclopropane-1-carboxylate is sourced from PubChem (CID 167375374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).