benzyl 4-pyrazin-2-ylbutanoate

C15H16N2O2 — CID 134574078

IUPACbenzyl 4-pyrazin-2-ylbutanoate
SMILESO=C(CCCc1cnccn1)OCc1ccccc1
InChIInChI=1S/C15H16N2O2/c18-15(19-12-13-5-2-1-3-6-13)8-4-7-14-11-16-9-10-17-14/h1-3,5-6,9-11H,4,7-8,12H2
InChIKeyZNGLUKFKAXHMQG-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.54
Rot. Bonds6

About benzyl 4-pyrazin-2-ylbutanoate

benzyl 4-pyrazin-2-ylbutanoate (PubChem CID 134574078) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is benzyl 4-pyrazin-2-ylbutanoate.

Molecular Properties

Compound Namebenzyl 4-pyrazin-2-ylbutanoate
PubChem CID134574078
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Namebenzyl 4-pyrazin-2-ylbutanoate
SMILESO=C(CCCc1cnccn1)OCc1ccccc1
InChIInChI=1S/C15H16N2O2/c18-15(19-12-13-5-2-1-3-6-13)8-4-7-14-11-16-9-10-17-14/h1-3,5-6,9-11H,4,7-8,12H2
InChIKeyZNGLUKFKAXHMQG-UHFFFAOYSA-N
XLogP2.54
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl 3-(4-pyrazin-2-ylbutanoyloxy)cyclobutane-1-carboxylate
CID 166313809
benzyl 4-phenylbutanoate
CID 11961623
4-(4-oxo-4-phenylmethoxybutyl)benzoic acid
CID 101218136
benzyl 4-aminobutanoate;hydrochloride
CID 18707498
benzyl 5-hydroxypentanoate
CID 19788674
26-oxo-26-phenylmethoxyhexacosanoic acid
CID 155487553
azane;benzyl 3-phenylpropanoate
CID 175136325
8-pyrazin-2-yloctanoic acid
CID 67107978
CID 173397882
CID 173397882
pyridin-3-ylmethyl 18-fluorooctadecanoate
CID 91704219
benzyl 4-thiophen-2-ylbutanoate
CID 78759392
dibenzyl 4-oxoheptanedioate
CID 14639376

Frequently Asked Questions

What is the IUPAC name of benzyl 4-pyrazin-2-ylbutanoate?
The IUPAC name of benzyl 4-pyrazin-2-ylbutanoate (CID 134574078) is benzyl 4-pyrazin-2-ylbutanoate.
What is the SMILES notation for benzyl 4-pyrazin-2-ylbutanoate?
The canonical SMILES for benzyl 4-pyrazin-2-ylbutanoate is O=C(CCCc1cnccn1)OCc1ccccc1.
What is the InChIKey of benzyl 4-pyrazin-2-ylbutanoate?
The InChIKey is ZNGLUKFKAXHMQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c18-15(19-12-13-5-2-1-3-6-13)8-4-7-14-11-16-9-10-17-14/h1-3,5-6,9-11H,4,7-8,12H2.
What are the key properties of benzyl 4-pyrazin-2-ylbutanoate?
benzyl 4-pyrazin-2-ylbutanoate has a molecular weight of 256.31 g/mol, XLogP of 2.54, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-pyrazin-2-ylbutanoate is sourced from PubChem (CID 134574078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).