1-(oxetan-3-yl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine

C10H14N2O — CID 170425491

IUPAC1-(oxetan-3-yl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine
SMILESc1cc2n(c1)CCNC2C1COC1
InChIInChI=1S/C10H14N2O/c1-2-9-10(8-6-13-7-8)11-3-5-12(9)4-1/h1-2,4,8,10-11H,3,5-7H2
InChIKeyFHJIOLUWMWKRCF-UHFFFAOYSA-N
MW178.24 g/mol
LogP0.78
Rot. Bonds1

About 1-(oxetan-3-yl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine

1-(oxetan-3-yl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine (PubChem CID 170425491) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is 1-(oxetan-3-yl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name1-(oxetan-3-yl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine
PubChem CID170425491
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC Name1-(oxetan-3-yl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine
SMILESc1cc2n(c1)CCNC2C1COC1
InChIInChI=1S/C10H14N2O/c1-2-9-10(8-6-13-7-8)11-3-5-12(9)4-1/h1-2,4,8,10-11H,3,5-7H2
InChIKeyFHJIOLUWMWKRCF-UHFFFAOYSA-N
XLogP0.78
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(oxetan-3-yl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine?
The IUPAC name of 1-(oxetan-3-yl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine (CID 170425491) is 1-(oxetan-3-yl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine.
What is the SMILES notation for 1-(oxetan-3-yl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine?
The canonical SMILES for 1-(oxetan-3-yl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine is c1cc2n(c1)CCNC2C1COC1.
What is the InChIKey of 1-(oxetan-3-yl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine?
The InChIKey is FHJIOLUWMWKRCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-2-9-10(8-6-13-7-8)11-3-5-12(9)4-1/h1-2,4,8,10-11H,3,5-7H2.
What are the key properties of 1-(oxetan-3-yl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine?
1-(oxetan-3-yl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine has a molecular weight of 178.24 g/mol, XLogP of 0.78, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxetan-3-yl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 170425491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).