methyl 1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-8-carboxylate

C9H12N2O2 — CID 82600577

IUPACmethyl 1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-8-carboxylate
SMILESCOC(=O)c1ccn2c1CNCC2
InChIInChI=1S/C9H12N2O2/c1-13-9(12)7-2-4-11-5-3-10-6-8(7)11/h2,4,10H,3,5-6H2,1H3
InChIKeyIONSRGDHHCMINV-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.38
Rot. Bonds1

About methyl 1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-8-carboxylate

methyl 1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-8-carboxylate (PubChem CID 82600577) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is methyl 1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-8-carboxylate.

Molecular Properties

Compound Namemethyl 1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-8-carboxylate
PubChem CID82600577
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Namemethyl 1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-8-carboxylate
SMILESCOC(=O)c1ccn2c1CNCC2
InChIInChI=1S/C9H12N2O2/c1-13-9(12)7-2-4-11-5-3-10-6-8(7)11/h2,4,10H,3,5-6H2,1H3
InChIKeyIONSRGDHHCMINV-UHFFFAOYSA-N
XLogP0.38
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-8-carboxylate?
The IUPAC name of methyl 1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-8-carboxylate (CID 82600577) is methyl 1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-8-carboxylate.
What is the SMILES notation for methyl 1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-8-carboxylate?
The canonical SMILES for methyl 1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-8-carboxylate is COC(=O)c1ccn2c1CNCC2.
What is the InChIKey of methyl 1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-8-carboxylate?
The InChIKey is IONSRGDHHCMINV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-13-9(12)7-2-4-11-5-3-10-6-8(7)11/h2,4,10H,3,5-6H2,1H3.
What are the key properties of methyl 1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-8-carboxylate?
methyl 1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-8-carboxylate has a molecular weight of 180.21 g/mol, XLogP of 0.38, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-8-carboxylate is sourced from PubChem (CID 82600577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).