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

C10H10N2O4 — CID 10585106

IUPAC2-(2-methyl-1,3-dioxo-4H-pyrrolo[1,2-a]pyrazin-4-yl)acetic acid
SMILESCN1C(=O)c2cccn2C(CC(=O)O)C1=O
InChIInChI=1S/C10H10N2O4/c1-11-9(15)6-3-2-4-12(6)7(10(11)16)5-8(13)14/h2-4,7H,5H2,1H3,(H,13,14)
InChIKeyHMYCWKYXWDFWQM-UHFFFAOYSA-N
MW222.20 g/mol
LogP0.12
Rot. Bonds2

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

2-(2-methyl-1,3-dioxo-4H-pyrrolo[1,2-a]pyrazin-4-yl)acetic acid (PubChem CID 10585106) has the molecular formula C10H10N2O4 and a molecular weight of 222.20 g/mol. Its IUPAC name is 2-(2-methyl-1,3-dioxo-4H-pyrrolo[1,2-a]pyrazin-4-yl)acetic acid.

Molecular Properties

Compound Name2-(2-methyl-1,3-dioxo-4H-pyrrolo[1,2-a]pyrazin-4-yl)acetic acid
PubChem CID10585106
Molecular FormulaC10H10N2O4
Molecular Weight222.20 g/mol
Exact Mass222.06
IUPAC Name2-(2-methyl-1,3-dioxo-4H-pyrrolo[1,2-a]pyrazin-4-yl)acetic acid
SMILESCN1C(=O)c2cccn2C(CC(=O)O)C1=O
InChIInChI=1S/C10H10N2O4/c1-11-9(15)6-3-2-4-12(6)7(10(11)16)5-8(13)14/h2-4,7H,5H2,1H3,(H,13,14)
InChIKeyHMYCWKYXWDFWQM-UHFFFAOYSA-N
XLogP0.12
TPSA79.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.20
LogP ≤ 50.12
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-(2-methyl-1,3-dioxo-4H-pyrrolo[1,2-a]pyrazin-4-yl)acetic acid?
The IUPAC name of 2-(2-methyl-1,3-dioxo-4H-pyrrolo[1,2-a]pyrazin-4-yl)acetic acid (CID 10585106) is 2-(2-methyl-1,3-dioxo-4H-pyrrolo[1,2-a]pyrazin-4-yl)acetic acid.
What is the SMILES notation for 2-(2-methyl-1,3-dioxo-4H-pyrrolo[1,2-a]pyrazin-4-yl)acetic acid?
The canonical SMILES for 2-(2-methyl-1,3-dioxo-4H-pyrrolo[1,2-a]pyrazin-4-yl)acetic acid is CN1C(=O)c2cccn2C(CC(=O)O)C1=O.
What is the InChIKey of 2-(2-methyl-1,3-dioxo-4H-pyrrolo[1,2-a]pyrazin-4-yl)acetic acid?
The InChIKey is HMYCWKYXWDFWQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O4/c1-11-9(15)6-3-2-4-12(6)7(10(11)16)5-8(13)14/h2-4,7H,5H2,1H3,(H,13,14).
What are the key properties of 2-(2-methyl-1,3-dioxo-4H-pyrrolo[1,2-a]pyrazin-4-yl)acetic acid?
2-(2-methyl-1,3-dioxo-4H-pyrrolo[1,2-a]pyrazin-4-yl)acetic acid has a molecular weight of 222.20 g/mol, XLogP of 0.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1,3-dioxo-4H-pyrrolo[1,2-a]pyrazin-4-yl)acetic acid is sourced from PubChem (CID 10585106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).