2-(2,3-dihydro-1-benzofuran-3-yl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione

C15H16N2O3 — CID 79925169

IUPAC2-(2,3-dihydro-1-benzofuran-3-yl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
SMILESO=C1CN(C2COc3ccccc32)C(=O)C2CCCN12
InChIInChI=1S/C15H16N2O3/c18-14-8-17(15(19)11-5-3-7-16(11)14)12-9-20-13-6-2-1-4-10(12)13/h1-2,4,6,11-12H,3,5,7-9H2
InChIKeyDWGXYZMWSJEVCM-UHFFFAOYSA-N
MW272.30 g/mol
LogP0.95
Rot. Bonds1

About 2-(2,3-dihydro-1-benzofuran-3-yl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione

2-(2,3-dihydro-1-benzofuran-3-yl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione (PubChem CID 79925169) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 2-(2,3-dihydro-1-benzofuran-3-yl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione.

Molecular Properties

Compound Name2-(2,3-dihydro-1-benzofuran-3-yl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
PubChem CID79925169
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name2-(2,3-dihydro-1-benzofuran-3-yl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
SMILESO=C1CN(C2COc3ccccc32)C(=O)C2CCCN12
InChIInChI=1S/C15H16N2O3/c18-14-8-17(15(19)11-5-3-7-16(11)14)12-9-20-13-6-2-1-4-10(12)13/h1-2,4,6,11-12H,3,5,7-9H2
InChIKeyDWGXYZMWSJEVCM-UHFFFAOYSA-N
XLogP0.95
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1-benzofuran-3-yl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione?
The IUPAC name of 2-(2,3-dihydro-1-benzofuran-3-yl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione (CID 79925169) is 2-(2,3-dihydro-1-benzofuran-3-yl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione.
What is the SMILES notation for 2-(2,3-dihydro-1-benzofuran-3-yl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione?
The canonical SMILES for 2-(2,3-dihydro-1-benzofuran-3-yl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione is O=C1CN(C2COc3ccccc32)C(=O)C2CCCN12.
What is the InChIKey of 2-(2,3-dihydro-1-benzofuran-3-yl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione?
The InChIKey is DWGXYZMWSJEVCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c18-14-8-17(15(19)11-5-3-7-16(11)14)12-9-20-13-6-2-1-4-10(12)13/h1-2,4,6,11-12H,3,5,7-9H2.
What are the key properties of 2-(2,3-dihydro-1-benzofuran-3-yl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione?
2-(2,3-dihydro-1-benzofuran-3-yl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione has a molecular weight of 272.30 g/mol, XLogP of 0.95, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1-benzofuran-3-yl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione is sourced from PubChem (CID 79925169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).