ethyl 1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-7-carboxylate

C10H14N2O2 — CID 58465607

IUPACethyl 1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-7-carboxylate
SMILESCCOC(=O)c1cc2n(c1)CCNC2
InChIInChI=1S/C10H14N2O2/c1-2-14-10(13)8-5-9-6-11-3-4-12(9)7-8/h5,7,11H,2-4,6H2,1H3
InChIKeyFVKLZYXTNPYRGL-UHFFFAOYSA-N
MW194.23 g/mol
LogP0.77
Rot. Bonds2

About ethyl 1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-7-carboxylate

ethyl 1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-7-carboxylate (PubChem CID 58465607) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is ethyl 1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-7-carboxylate.

Molecular Properties

Compound Nameethyl 1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-7-carboxylate
PubChem CID58465607
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Nameethyl 1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-7-carboxylate
SMILESCCOC(=O)c1cc2n(c1)CCNC2
InChIInChI=1S/C10H14N2O2/c1-2-14-10(13)8-5-9-6-11-3-4-12(9)7-8/h5,7,11H,2-4,6H2,1H3
InChIKeyFVKLZYXTNPYRGL-UHFFFAOYSA-N
XLogP0.77
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-7-carboxylate?
The IUPAC name of ethyl 1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-7-carboxylate (CID 58465607) is ethyl 1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-7-carboxylate.
What is the SMILES notation for ethyl 1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-7-carboxylate?
The canonical SMILES for ethyl 1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-7-carboxylate is CCOC(=O)c1cc2n(c1)CCNC2.
What is the InChIKey of ethyl 1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-7-carboxylate?
The InChIKey is FVKLZYXTNPYRGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-2-14-10(13)8-5-9-6-11-3-4-12(9)7-8/h5,7,11H,2-4,6H2,1H3.
What are the key properties of ethyl 1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-7-carboxylate?
ethyl 1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-7-carboxylate has a molecular weight of 194.23 g/mol, XLogP of 0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-7-carboxylate is sourced from PubChem (CID 58465607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).