4-(oxolan-2-yl)-1-pyrazin-2-ylbutan-1-one

C12H16N2O2 — CID 65167261

IUPAC4-(oxolan-2-yl)-1-pyrazin-2-ylbutan-1-one
SMILESO=C(CCCC1CCCO1)c1cnccn1
InChIInChI=1S/C12H16N2O2/c15-12(11-9-13-6-7-14-11)5-1-3-10-4-2-8-16-10/h6-7,9-10H,1-5,8H2
InChIKeyUPMMNHKYHVPECI-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.01
Rot. Bonds5

About 4-(oxolan-2-yl)-1-pyrazin-2-ylbutan-1-one

4-(oxolan-2-yl)-1-pyrazin-2-ylbutan-1-one (PubChem CID 65167261) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 4-(oxolan-2-yl)-1-pyrazin-2-ylbutan-1-one.

Molecular Properties

Compound Name4-(oxolan-2-yl)-1-pyrazin-2-ylbutan-1-one
PubChem CID65167261
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name4-(oxolan-2-yl)-1-pyrazin-2-ylbutan-1-one
SMILESO=C(CCCC1CCCO1)c1cnccn1
InChIInChI=1S/C12H16N2O2/c15-12(11-9-13-6-7-14-11)5-1-3-10-4-2-8-16-10/h6-7,9-10H,1-5,8H2
InChIKeyUPMMNHKYHVPECI-UHFFFAOYSA-N
XLogP2.01
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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4-amino-1-pyrazin-2-ylbutan-1-one
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1-(2-chlorofuran-3-yl)-4-(oxolan-2-yl)butan-1-one
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1-pyrazin-2-ylhexan-1-one
CID 22507174
1-(2-aminophenyl)-4-(oxolan-2-yl)butan-1-one
CID 65166956
1-(4-amino-3,5-dichlorophenyl)-4-(oxolan-2-yl)butan-1-one
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CID 65167309

Frequently Asked Questions

What is the IUPAC name of 4-(oxolan-2-yl)-1-pyrazin-2-ylbutan-1-one?
The IUPAC name of 4-(oxolan-2-yl)-1-pyrazin-2-ylbutan-1-one (CID 65167261) is 4-(oxolan-2-yl)-1-pyrazin-2-ylbutan-1-one.
What is the SMILES notation for 4-(oxolan-2-yl)-1-pyrazin-2-ylbutan-1-one?
The canonical SMILES for 4-(oxolan-2-yl)-1-pyrazin-2-ylbutan-1-one is O=C(CCCC1CCCO1)c1cnccn1.
What is the InChIKey of 4-(oxolan-2-yl)-1-pyrazin-2-ylbutan-1-one?
The InChIKey is UPMMNHKYHVPECI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c15-12(11-9-13-6-7-14-11)5-1-3-10-4-2-8-16-10/h6-7,9-10H,1-5,8H2.
What are the key properties of 4-(oxolan-2-yl)-1-pyrazin-2-ylbutan-1-one?
4-(oxolan-2-yl)-1-pyrazin-2-ylbutan-1-one has a molecular weight of 220.27 g/mol, XLogP of 2.01, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxolan-2-yl)-1-pyrazin-2-ylbutan-1-one is sourced from PubChem (CID 65167261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).