trans-ethyl (1R,2R)-2-(6-oxo-1H-pyrazin-3-yl)cyclopropane-1-carboxylate

C10H12N2O3 — CID 142405041

IUPACtrans-ethyl (1R,2R)-2-(6-oxo-1H-pyrazin-3-yl)cyclopropane-1-carboxylate
SMILESCCOC(=O)[C@@H]1C[C@H]1c1c[nH]c(=O)cn1
InChIInChI=1S/C10H12N2O3/c1-2-15-10(14)7-3-6(7)8-4-12-9(13)5-11-8/h4-7H,2-3H2,1H3,(H,12,13)/t6-,7-/m1/s1
InChIKeyITHZLPPNZLGSKC-RNFRBKRXSA-N
MW208.22 g/mol
LogP0.44
Rot. Bonds3

About trans-ethyl (1R,2R)-2-(6-oxo-1H-pyrazin-3-yl)cyclopropane-1-carboxylate

trans-ethyl (1R,2R)-2-(6-oxo-1H-pyrazin-3-yl)cyclopropane-1-carboxylate (PubChem CID 142405041) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is trans-ethyl (1R,2R)-2-(6-oxo-1H-pyrazin-3-yl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Nametrans-ethyl (1R,2R)-2-(6-oxo-1H-pyrazin-3-yl)cyclopropane-1-carboxylate
PubChem CID142405041
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Nametrans-ethyl (1R,2R)-2-(6-oxo-1H-pyrazin-3-yl)cyclopropane-1-carboxylate
SMILESCCOC(=O)[C@@H]1C[C@H]1c1c[nH]c(=O)cn1
InChIInChI=1S/C10H12N2O3/c1-2-15-10(14)7-3-6(7)8-4-12-9(13)5-11-8/h4-7H,2-3H2,1H3,(H,12,13)/t6-,7-/m1/s1
InChIKeyITHZLPPNZLGSKC-RNFRBKRXSA-N
XLogP0.44
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of trans-ethyl (1R,2R)-2-(6-oxo-1H-pyrazin-3-yl)cyclopropane-1-carboxylate?
The IUPAC name of trans-ethyl (1R,2R)-2-(6-oxo-1H-pyrazin-3-yl)cyclopropane-1-carboxylate (CID 142405041) is trans-ethyl (1R,2R)-2-(6-oxo-1H-pyrazin-3-yl)cyclopropane-1-carboxylate.
What is the SMILES notation for trans-ethyl (1R,2R)-2-(6-oxo-1H-pyrazin-3-yl)cyclopropane-1-carboxylate?
The canonical SMILES for trans-ethyl (1R,2R)-2-(6-oxo-1H-pyrazin-3-yl)cyclopropane-1-carboxylate is CCOC(=O)[C@@H]1C[C@H]1c1c[nH]c(=O)cn1.
What is the InChIKey of trans-ethyl (1R,2R)-2-(6-oxo-1H-pyrazin-3-yl)cyclopropane-1-carboxylate?
The InChIKey is ITHZLPPNZLGSKC-RNFRBKRXSA-N. The full InChI is InChI=1S/C10H12N2O3/c1-2-15-10(14)7-3-6(7)8-4-12-9(13)5-11-8/h4-7H,2-3H2,1H3,(H,12,13)/t6-,7-/m1/s1.
What are the key properties of trans-ethyl (1R,2R)-2-(6-oxo-1H-pyrazin-3-yl)cyclopropane-1-carboxylate?
trans-ethyl (1R,2R)-2-(6-oxo-1H-pyrazin-3-yl)cyclopropane-1-carboxylate has a molecular weight of 208.22 g/mol, XLogP of 0.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-ethyl (1R,2R)-2-(6-oxo-1H-pyrazin-3-yl)cyclopropane-1-carboxylate is sourced from PubChem (CID 142405041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).