ethyl 2-(1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-1-yl)acetate

C11H16N2O2 — CID 59486375

IUPACethyl 2-(1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-1-yl)acetate
SMILESCCOC(=O)CC1NCCn2cccc21
InChIInChI=1S/C11H16N2O2/c1-2-15-11(14)8-9-10-4-3-6-13(10)7-5-12-9/h3-4,6,9,12H,2,5,7-8H2,1H3
InChIKeyFZBSAVPIGJXRLO-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.09
Rot. Bonds3

About ethyl 2-(1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-1-yl)acetate

ethyl 2-(1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-1-yl)acetate (PubChem CID 59486375) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is ethyl 2-(1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-1-yl)acetate
PubChem CID59486375
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Nameethyl 2-(1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-1-yl)acetate
SMILESCCOC(=O)CC1NCCn2cccc21
InChIInChI=1S/C11H16N2O2/c1-2-15-11(14)8-9-10-4-3-6-13(10)7-5-12-9/h3-4,6,9,12H,2,5,7-8H2,1H3
InChIKeyFZBSAVPIGJXRLO-UHFFFAOYSA-N
XLogP1.09
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-1-yl)acetate?
The IUPAC name of ethyl 2-(1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-1-yl)acetate (CID 59486375) is ethyl 2-(1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-1-yl)acetate.
What is the SMILES notation for ethyl 2-(1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-1-yl)acetate?
The canonical SMILES for ethyl 2-(1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-1-yl)acetate is CCOC(=O)CC1NCCn2cccc21.
What is the InChIKey of ethyl 2-(1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-1-yl)acetate?
The InChIKey is FZBSAVPIGJXRLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-2-15-11(14)8-9-10-4-3-6-13(10)7-5-12-9/h3-4,6,9,12H,2,5,7-8H2,1H3.
What are the key properties of ethyl 2-(1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-1-yl)acetate?
ethyl 2-(1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-1-yl)acetate has a molecular weight of 208.26 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-1-yl)acetate is sourced from PubChem (CID 59486375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).