2-(1,3-dioxo-2-propan-2-yl-4H-pyrrolo[1,2-a]pyrazin-4-yl)acetic acid

C12H14N2O4 — CID 10610663

IUPAC2-(1,3-dioxo-2-propan-2-yl-4H-pyrrolo[1,2-a]pyrazin-4-yl)acetic acid
SMILESCC(C)N1C(=O)c2cccn2C(CC(=O)O)C1=O
InChIInChI=1S/C12H14N2O4/c1-7(2)14-11(17)8-4-3-5-13(8)9(12(14)18)6-10(15)16/h3-5,7,9H,6H2,1-2H3,(H,15,16)
InChIKeyBZIDGVAGHMIRJX-UHFFFAOYSA-N
MW250.25 g/mol
LogP0.89
Rot. Bonds3

About 2-(1,3-dioxo-2-propan-2-yl-4H-pyrrolo[1,2-a]pyrazin-4-yl)acetic acid

2-(1,3-dioxo-2-propan-2-yl-4H-pyrrolo[1,2-a]pyrazin-4-yl)acetic acid (PubChem CID 10610663) has the molecular formula C12H14N2O4 and a molecular weight of 250.25 g/mol. Its IUPAC name is 2-(1,3-dioxo-2-propan-2-yl-4H-pyrrolo[1,2-a]pyrazin-4-yl)acetic acid.

Molecular Properties

Compound Name2-(1,3-dioxo-2-propan-2-yl-4H-pyrrolo[1,2-a]pyrazin-4-yl)acetic acid
PubChem CID10610663
Molecular FormulaC12H14N2O4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC Name2-(1,3-dioxo-2-propan-2-yl-4H-pyrrolo[1,2-a]pyrazin-4-yl)acetic acid
SMILESCC(C)N1C(=O)c2cccn2C(CC(=O)O)C1=O
InChIInChI=1S/C12H14N2O4/c1-7(2)14-11(17)8-4-3-5-13(8)9(12(14)18)6-10(15)16/h3-5,7,9H,6H2,1-2H3,(H,15,16)
InChIKeyBZIDGVAGHMIRJX-UHFFFAOYSA-N
XLogP0.89
TPSA79.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxo-2-propan-2-yl-4H-pyrrolo[1,2-a]pyrazin-4-yl)acetic acid?
The IUPAC name of 2-(1,3-dioxo-2-propan-2-yl-4H-pyrrolo[1,2-a]pyrazin-4-yl)acetic acid (CID 10610663) is 2-(1,3-dioxo-2-propan-2-yl-4H-pyrrolo[1,2-a]pyrazin-4-yl)acetic acid.
What is the SMILES notation for 2-(1,3-dioxo-2-propan-2-yl-4H-pyrrolo[1,2-a]pyrazin-4-yl)acetic acid?
The canonical SMILES for 2-(1,3-dioxo-2-propan-2-yl-4H-pyrrolo[1,2-a]pyrazin-4-yl)acetic acid is CC(C)N1C(=O)c2cccn2C(CC(=O)O)C1=O.
What is the InChIKey of 2-(1,3-dioxo-2-propan-2-yl-4H-pyrrolo[1,2-a]pyrazin-4-yl)acetic acid?
The InChIKey is BZIDGVAGHMIRJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4/c1-7(2)14-11(17)8-4-3-5-13(8)9(12(14)18)6-10(15)16/h3-5,7,9H,6H2,1-2H3,(H,15,16).
What are the key properties of 2-(1,3-dioxo-2-propan-2-yl-4H-pyrrolo[1,2-a]pyrazin-4-yl)acetic acid?
2-(1,3-dioxo-2-propan-2-yl-4H-pyrrolo[1,2-a]pyrazin-4-yl)acetic acid has a molecular weight of 250.25 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxo-2-propan-2-yl-4H-pyrrolo[1,2-a]pyrazin-4-yl)acetic acid is sourced from PubChem (CID 10610663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).