(4-propan-2-yloxycarbonylphenyl)methyl pyrazine-2-carboxylate

C16H16N2O4 — CID 976277

IUPAC(4-propan-2-yloxycarbonylphenyl)methyl pyrazine-2-carboxylate
SMILESCC(C)OC(=O)c1ccc(COC(=O)c2cnccn2)cc1
InChIInChI=1S/C16H16N2O4/c1-11(2)22-15(19)13-5-3-12(4-6-13)10-21-16(20)14-9-17-7-8-18-14/h3-9,11H,10H2,1-2H3
InChIKeyPPEGADUHZHQJMY-UHFFFAOYSA-N
MW300.31 g/mol
LogP2.40
Rot. Bonds5

About (4-propan-2-yloxycarbonylphenyl)methyl pyrazine-2-carboxylate

(4-propan-2-yloxycarbonylphenyl)methyl pyrazine-2-carboxylate (PubChem CID 976277) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is (4-propan-2-yloxycarbonylphenyl)methyl pyrazine-2-carboxylate.

Molecular Properties

Compound Name(4-propan-2-yloxycarbonylphenyl)methyl pyrazine-2-carboxylate
PubChem CID976277
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC Name(4-propan-2-yloxycarbonylphenyl)methyl pyrazine-2-carboxylate
SMILESCC(C)OC(=O)c1ccc(COC(=O)c2cnccn2)cc1
InChIInChI=1S/C16H16N2O4/c1-11(2)22-15(19)13-5-3-12(4-6-13)10-21-16(20)14-9-17-7-8-18-14/h3-9,11H,10H2,1-2H3
InChIKeyPPEGADUHZHQJMY-UHFFFAOYSA-N
XLogP2.40
TPSA78.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4-propan-2-yloxycarbonylphenyl)methyl pyrazine-2-carboxylate?
The IUPAC name of (4-propan-2-yloxycarbonylphenyl)methyl pyrazine-2-carboxylate (CID 976277) is (4-propan-2-yloxycarbonylphenyl)methyl pyrazine-2-carboxylate.
What is the SMILES notation for (4-propan-2-yloxycarbonylphenyl)methyl pyrazine-2-carboxylate?
The canonical SMILES for (4-propan-2-yloxycarbonylphenyl)methyl pyrazine-2-carboxylate is CC(C)OC(=O)c1ccc(COC(=O)c2cnccn2)cc1.
What is the InChIKey of (4-propan-2-yloxycarbonylphenyl)methyl pyrazine-2-carboxylate?
The InChIKey is PPEGADUHZHQJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4/c1-11(2)22-15(19)13-5-3-12(4-6-13)10-21-16(20)14-9-17-7-8-18-14/h3-9,11H,10H2,1-2H3.
What are the key properties of (4-propan-2-yloxycarbonylphenyl)methyl pyrazine-2-carboxylate?
(4-propan-2-yloxycarbonylphenyl)methyl pyrazine-2-carboxylate has a molecular weight of 300.31 g/mol, XLogP of 2.40, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propan-2-yloxycarbonylphenyl)methyl pyrazine-2-carboxylate is sourced from PubChem (CID 976277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).