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

C15H22N2O4 — CID 524946

IUPAC2-(3-methyl-2-oxobutanoyl)-3-propan-2-yl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
SMILESCC(C)C(=O)C(=O)N1C(=O)C2CCCN2C(=O)C1C(C)C
InChIInChI=1S/C15H22N2O4/c1-8(2)11-14(20)16-7-5-6-10(16)13(19)17(11)15(21)12(18)9(3)4/h8-11H,5-7H2,1-4H3
InChIKeyUWABKECQCLTLPM-UHFFFAOYSA-N
MW294.35 g/mol
LogP0.60
Rot. Bonds3

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

2-(3-methyl-2-oxobutanoyl)-3-propan-2-yl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione (PubChem CID 524946) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-(3-methyl-2-oxobutanoyl)-3-propan-2-yl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione.

Molecular Properties

Compound Name2-(3-methyl-2-oxobutanoyl)-3-propan-2-yl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
PubChem CID524946
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name2-(3-methyl-2-oxobutanoyl)-3-propan-2-yl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
SMILESCC(C)C(=O)C(=O)N1C(=O)C2CCCN2C(=O)C1C(C)C
InChIInChI=1S/C15H22N2O4/c1-8(2)11-14(20)16-7-5-6-10(16)13(19)17(11)15(21)12(18)9(3)4/h8-11H,5-7H2,1-4H3
InChIKeyUWABKECQCLTLPM-UHFFFAOYSA-N
XLogP0.60
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 50.60
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-(3-methyl-2-oxobutanoyl)-3-propan-2-yl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione?
The IUPAC name of 2-(3-methyl-2-oxobutanoyl)-3-propan-2-yl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione (CID 524946) is 2-(3-methyl-2-oxobutanoyl)-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-(3-methyl-2-oxobutanoyl)-3-propan-2-yl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione?
The canonical SMILES for 2-(3-methyl-2-oxobutanoyl)-3-propan-2-yl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione is CC(C)C(=O)C(=O)N1C(=O)C2CCCN2C(=O)C1C(C)C.
What is the InChIKey of 2-(3-methyl-2-oxobutanoyl)-3-propan-2-yl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione?
The InChIKey is UWABKECQCLTLPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-8(2)11-14(20)16-7-5-6-10(16)13(19)17(11)15(21)12(18)9(3)4/h8-11H,5-7H2,1-4H3.
What are the key properties of 2-(3-methyl-2-oxobutanoyl)-3-propan-2-yl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione?
2-(3-methyl-2-oxobutanoyl)-3-propan-2-yl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione has a molecular weight of 294.35 g/mol, XLogP of 0.60, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-2-oxobutanoyl)-3-propan-2-yl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione is sourced from PubChem (CID 524946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).