2-methyl-7-nitro-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one

C8H9N3O3 — CID 71364376

IUPAC2-methyl-7-nitro-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one
SMILESCN1CCn2cc([N+](=O)[O-])cc2C1=O
InChIInChI=1S/C8H9N3O3/c1-9-2-3-10-5-6(11(13)14)4-7(10)8(9)12/h4-5H,2-3H2,1H3
InChIKeyYNJVODXXVWEOEW-UHFFFAOYSA-N
MW195.18 g/mol
LogP0.48
Rot. Bonds1

About 2-methyl-7-nitro-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one

2-methyl-7-nitro-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one (PubChem CID 71364376) has the molecular formula C8H9N3O3 and a molecular weight of 195.18 g/mol. Its IUPAC name is 2-methyl-7-nitro-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one.

Molecular Properties

Compound Name2-methyl-7-nitro-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one
PubChem CID71364376
Molecular FormulaC8H9N3O3
Molecular Weight195.18 g/mol
Exact Mass195.06
IUPAC Name2-methyl-7-nitro-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one
SMILESCN1CCn2cc([N+](=O)[O-])cc2C1=O
InChIInChI=1S/C8H9N3O3/c1-9-2-3-10-5-6(11(13)14)4-7(10)8(9)12/h4-5H,2-3H2,1H3
InChIKeyYNJVODXXVWEOEW-UHFFFAOYSA-N
XLogP0.48
TPSA68.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-nitro-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one?
The IUPAC name of 2-methyl-7-nitro-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one (CID 71364376) is 2-methyl-7-nitro-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one.
What is the SMILES notation for 2-methyl-7-nitro-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one?
The canonical SMILES for 2-methyl-7-nitro-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one is CN1CCn2cc([N+](=O)[O-])cc2C1=O.
What is the InChIKey of 2-methyl-7-nitro-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one?
The InChIKey is YNJVODXXVWEOEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O3/c1-9-2-3-10-5-6(11(13)14)4-7(10)8(9)12/h4-5H,2-3H2,1H3.
What are the key properties of 2-methyl-7-nitro-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one?
2-methyl-7-nitro-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one has a molecular weight of 195.18 g/mol, XLogP of 0.48, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-nitro-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one is sourced from PubChem (CID 71364376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).