7-[(E)-3-phenylprop-2-enyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one

C15H18N2O2 — CID 131929471

IUPAC7-[(E)-3-phenylprop-2-enyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
SMILESO=C1OCC2CN(C/C=C/c3ccccc3)CCN12
InChIInChI=1S/C15H18N2O2/c18-15-17-10-9-16(11-14(17)12-19-15)8-4-7-13-5-2-1-3-6-13/h1-7,14H,8-12H2/b7-4+
InChIKeyFVIXHDAXKXEHIJ-QPJJXVBHSA-N
MW258.32 g/mol
LogP1.84
Rot. Bonds3

About 7-[(E)-3-phenylprop-2-enyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one

7-[(E)-3-phenylprop-2-enyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one (PubChem CID 131929471) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 7-[(E)-3-phenylprop-2-enyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one.

Molecular Properties

Compound Name7-[(E)-3-phenylprop-2-enyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
PubChem CID131929471
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name7-[(E)-3-phenylprop-2-enyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
SMILESO=C1OCC2CN(C/C=C/c3ccccc3)CCN12
InChIInChI=1S/C15H18N2O2/c18-15-17-10-9-16(11-14(17)12-19-15)8-4-7-13-5-2-1-3-6-13/h1-7,14H,8-12H2/b7-4+
InChIKeyFVIXHDAXKXEHIJ-QPJJXVBHSA-N
XLogP1.84
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-[(E)-3-phenylprop-2-enyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one?
The IUPAC name of 7-[(E)-3-phenylprop-2-enyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one (CID 131929471) is 7-[(E)-3-phenylprop-2-enyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one.
What is the SMILES notation for 7-[(E)-3-phenylprop-2-enyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one?
The canonical SMILES for 7-[(E)-3-phenylprop-2-enyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one is O=C1OCC2CN(C/C=C/c3ccccc3)CCN12.
What is the InChIKey of 7-[(E)-3-phenylprop-2-enyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one?
The InChIKey is FVIXHDAXKXEHIJ-QPJJXVBHSA-N. The full InChI is InChI=1S/C15H18N2O2/c18-15-17-10-9-16(11-14(17)12-19-15)8-4-7-13-5-2-1-3-6-13/h1-7,14H,8-12H2/b7-4+.
What are the key properties of 7-[(E)-3-phenylprop-2-enyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one?
7-[(E)-3-phenylprop-2-enyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one has a molecular weight of 258.32 g/mol, XLogP of 1.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(E)-3-phenylprop-2-enyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one is sourced from PubChem (CID 131929471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).