3-iodo-6-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one

C8H7IN2O — CID 176689665

IUPAC3-iodo-6-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one
SMILESCc1ccc2c(=O)[nH]c(I)cn12
InChIInChI=1S/C8H7IN2O/c1-5-2-3-6-8(12)10-7(9)4-11(5)6/h2-4H,1H3,(H,10,12)
InChIKeyJKOMJQULWLZMQR-UHFFFAOYSA-N
MW274.06 g/mol
LogP1.54
Rot. Bonds

About 3-iodo-6-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one

3-iodo-6-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one (PubChem CID 176689665) has the molecular formula C8H7IN2O and a molecular weight of 274.06 g/mol. Its IUPAC name is 3-iodo-6-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one.

Molecular Properties

Compound Name3-iodo-6-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one
PubChem CID176689665
Molecular FormulaC8H7IN2O
Molecular Weight274.06 g/mol
Exact Mass273.96
IUPAC Name3-iodo-6-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one
SMILESCc1ccc2c(=O)[nH]c(I)cn12
InChIInChI=1S/C8H7IN2O/c1-5-2-3-6-8(12)10-7(9)4-11(5)6/h2-4H,1H3,(H,10,12)
InChIKeyJKOMJQULWLZMQR-UHFFFAOYSA-N
XLogP1.54
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.06
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-iodo-6-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one?
The IUPAC name of 3-iodo-6-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one (CID 176689665) is 3-iodo-6-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one.
What is the SMILES notation for 3-iodo-6-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one?
The canonical SMILES for 3-iodo-6-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one is Cc1ccc2c(=O)[nH]c(I)cn12.
What is the InChIKey of 3-iodo-6-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one?
The InChIKey is JKOMJQULWLZMQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7IN2O/c1-5-2-3-6-8(12)10-7(9)4-11(5)6/h2-4H,1H3,(H,10,12).
What are the key properties of 3-iodo-6-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one?
3-iodo-6-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one has a molecular weight of 274.06 g/mol, XLogP of 1.54, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-6-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one is sourced from PubChem (CID 176689665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).