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

C13H18N2O4 — CID 524965

IUPAC2-(2-oxopropanoyl)-3-propan-2-yl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
SMILESCC(=O)C(=O)N1C(=O)C2CCCN2C(=O)C1C(C)C
InChIInChI=1S/C13H18N2O4/c1-7(2)10-13(19)14-6-4-5-9(14)12(18)15(10)11(17)8(3)16/h7,9-10H,4-6H2,1-3H3
InChIKeyFWPQHUKROPLSJL-UHFFFAOYSA-N
MW266.30 g/mol
LogP-0.04
Rot. Bonds2

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

2-(2-oxopropanoyl)-3-propan-2-yl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione (PubChem CID 524965) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-(2-oxopropanoyl)-3-propan-2-yl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione.

Molecular Properties

Compound Name2-(2-oxopropanoyl)-3-propan-2-yl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
PubChem CID524965
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name2-(2-oxopropanoyl)-3-propan-2-yl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
SMILESCC(=O)C(=O)N1C(=O)C2CCCN2C(=O)C1C(C)C
InChIInChI=1S/C13H18N2O4/c1-7(2)10-13(19)14-6-4-5-9(14)12(18)15(10)11(17)8(3)16/h7,9-10H,4-6H2,1-3H3
InChIKeyFWPQHUKROPLSJL-UHFFFAOYSA-N
XLogP-0.04
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 5-0.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxopropanoyl)-3-propan-2-yl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione?
The IUPAC name of 2-(2-oxopropanoyl)-3-propan-2-yl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione (CID 524965) is 2-(2-oxopropanoyl)-3-propan-2-yl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione.
What is the SMILES notation for 2-(2-oxopropanoyl)-3-propan-2-yl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione?
The canonical SMILES for 2-(2-oxopropanoyl)-3-propan-2-yl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione is CC(=O)C(=O)N1C(=O)C2CCCN2C(=O)C1C(C)C.
What is the InChIKey of 2-(2-oxopropanoyl)-3-propan-2-yl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione?
The InChIKey is FWPQHUKROPLSJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-7(2)10-13(19)14-6-4-5-9(14)12(18)15(10)11(17)8(3)16/h7,9-10H,4-6H2,1-3H3.
What are the key properties of 2-(2-oxopropanoyl)-3-propan-2-yl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione?
2-(2-oxopropanoyl)-3-propan-2-yl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione has a molecular weight of 266.30 g/mol, XLogP of -0.04, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxopropanoyl)-3-propan-2-yl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione is sourced from PubChem (CID 524965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).