1-ethyl-2,6-dimethyl-3,4-dihydropyrrolo[1,2-a]pyrazin-2-ium iodide

C11H17IN2 — CID 2826925

IUPAC1-ethyl-2,6-dimethyl-3,4-dihydropyrrolo[1,2-a]pyrazin-2-ium iodide
SMILESCCC1=[N+](C)CCn2c(C)ccc21.[I-]
InChIInChI=1S/C11H17N2.HI/c1-4-10-11-6-5-9(2)13(11)8-7-12(10)3;/h5-6H,4,7-8H2,1-3H3;1H/q+1;/p-1
InChIKeyVFTFYKYQLHUHCT-UHFFFAOYSA-M
MW304.18 g/mol
LogP-1.34
Rot. Bonds1

About 1-ethyl-2,6-dimethyl-3,4-dihydropyrrolo[1,2-a]pyrazin-2-ium iodide

1-ethyl-2,6-dimethyl-3,4-dihydropyrrolo[1,2-a]pyrazin-2-ium iodide (PubChem CID 2826925) has the molecular formula C11H17IN2 and a molecular weight of 304.18 g/mol. Its IUPAC name is 1-ethyl-2,6-dimethyl-3,4-dihydropyrrolo[1,2-a]pyrazin-2-ium iodide.

Molecular Properties

Compound Name1-ethyl-2,6-dimethyl-3,4-dihydropyrrolo[1,2-a]pyrazin-2-ium iodide
PubChem CID2826925
Molecular FormulaC11H17IN2
Molecular Weight304.18 g/mol
Exact Mass304.04
IUPAC Name1-ethyl-2,6-dimethyl-3,4-dihydropyrrolo[1,2-a]pyrazin-2-ium iodide
SMILESCCC1=[N+](C)CCn2c(C)ccc21.[I-]
InChIInChI=1S/C11H17N2.HI/c1-4-10-11-6-5-9(2)13(11)8-7-12(10)3;/h5-6H,4,7-8H2,1-3H3;1H/q+1;/p-1
InChIKeyVFTFYKYQLHUHCT-UHFFFAOYSA-M
XLogP-1.34
TPSA7.94 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.18
LogP ≤ 5-1.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_H(3)', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2,6-dimethyl-3,4-dihydropyrrolo[1,2-a]pyrazin-2-ium iodide?
The IUPAC name of 1-ethyl-2,6-dimethyl-3,4-dihydropyrrolo[1,2-a]pyrazin-2-ium iodide (CID 2826925) is 1-ethyl-2,6-dimethyl-3,4-dihydropyrrolo[1,2-a]pyrazin-2-ium iodide.
What is the SMILES notation for 1-ethyl-2,6-dimethyl-3,4-dihydropyrrolo[1,2-a]pyrazin-2-ium iodide?
The canonical SMILES for 1-ethyl-2,6-dimethyl-3,4-dihydropyrrolo[1,2-a]pyrazin-2-ium iodide is CCC1=[N+](C)CCn2c(C)ccc21.[I-].
What is the InChIKey of 1-ethyl-2,6-dimethyl-3,4-dihydropyrrolo[1,2-a]pyrazin-2-ium iodide?
The InChIKey is VFTFYKYQLHUHCT-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H17N2.HI/c1-4-10-11-6-5-9(2)13(11)8-7-12(10)3;/h5-6H,4,7-8H2,1-3H3;1H/q+1;/p-1.
What are the key properties of 1-ethyl-2,6-dimethyl-3,4-dihydropyrrolo[1,2-a]pyrazin-2-ium iodide?
1-ethyl-2,6-dimethyl-3,4-dihydropyrrolo[1,2-a]pyrazin-2-ium iodide has a molecular weight of 304.18 g/mol, XLogP of -1.34, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2,6-dimethyl-3,4-dihydropyrrolo[1,2-a]pyrazin-2-ium iodide is sourced from PubChem (CID 2826925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).