[4-(cyclopropylmethoxy)phenyl] pyrazine-2-carboxylate

C15H14N2O3 — CID 71935800

IUPAC[4-(cyclopropylmethoxy)phenyl] pyrazine-2-carboxylate
SMILESO=C(Oc1ccc(OCC2CC2)cc1)c1cnccn1
InChIInChI=1S/C15H14N2O3/c18-15(14-9-16-7-8-17-14)20-13-5-3-12(4-6-13)19-10-11-1-2-11/h3-9,11H,1-2,10H2
InChIKeyYLCLTEIFTURXQO-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.48
Rot. Bonds5

About [4-(cyclopropylmethoxy)phenyl] pyrazine-2-carboxylate

[4-(cyclopropylmethoxy)phenyl] pyrazine-2-carboxylate (PubChem CID 71935800) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is [4-(cyclopropylmethoxy)phenyl] pyrazine-2-carboxylate.

Molecular Properties

Compound Name[4-(cyclopropylmethoxy)phenyl] pyrazine-2-carboxylate
PubChem CID71935800
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name[4-(cyclopropylmethoxy)phenyl] pyrazine-2-carboxylate
SMILESO=C(Oc1ccc(OCC2CC2)cc1)c1cnccn1
InChIInChI=1S/C15H14N2O3/c18-15(14-9-16-7-8-17-14)20-13-5-3-12(4-6-13)19-10-11-1-2-11/h3-9,11H,1-2,10H2
InChIKeyYLCLTEIFTURXQO-UHFFFAOYSA-N
XLogP2.48
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-(cyclopropylmethoxy)phenyl] pyrazine-2-carboxylate?
The IUPAC name of [4-(cyclopropylmethoxy)phenyl] pyrazine-2-carboxylate (CID 71935800) is [4-(cyclopropylmethoxy)phenyl] pyrazine-2-carboxylate.
What is the SMILES notation for [4-(cyclopropylmethoxy)phenyl] pyrazine-2-carboxylate?
The canonical SMILES for [4-(cyclopropylmethoxy)phenyl] pyrazine-2-carboxylate is O=C(Oc1ccc(OCC2CC2)cc1)c1cnccn1.
What is the InChIKey of [4-(cyclopropylmethoxy)phenyl] pyrazine-2-carboxylate?
The InChIKey is YLCLTEIFTURXQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c18-15(14-9-16-7-8-17-14)20-13-5-3-12(4-6-13)19-10-11-1-2-11/h3-9,11H,1-2,10H2.
What are the key properties of [4-(cyclopropylmethoxy)phenyl] pyrazine-2-carboxylate?
[4-(cyclopropylmethoxy)phenyl] pyrazine-2-carboxylate has a molecular weight of 270.29 g/mol, XLogP of 2.48, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(cyclopropylmethoxy)phenyl] pyrazine-2-carboxylate is sourced from PubChem (CID 71935800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).