methyl 6-methyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-7-carboxylate

C10H14N2O2 — CID 166000695

IUPACmethyl 6-methyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-7-carboxylate
SMILESCOC(=O)c1cc2n(c1C)CCNC2
InChIInChI=1S/C10H14N2O2/c1-7-9(10(13)14-2)5-8-6-11-3-4-12(7)8/h5,11H,3-4,6H2,1-2H3
InChIKeyNMLQKXWDFDYVEJ-UHFFFAOYSA-N
MW194.23 g/mol
LogP0.69
Rot. Bonds1

About methyl 6-methyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-7-carboxylate

methyl 6-methyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-7-carboxylate (PubChem CID 166000695) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is methyl 6-methyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-7-carboxylate.

Molecular Properties

Compound Namemethyl 6-methyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-7-carboxylate
PubChem CID166000695
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Namemethyl 6-methyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-7-carboxylate
SMILESCOC(=O)c1cc2n(c1C)CCNC2
InChIInChI=1S/C10H14N2O2/c1-7-9(10(13)14-2)5-8-6-11-3-4-12(7)8/h5,11H,3-4,6H2,1-2H3
InChIKeyNMLQKXWDFDYVEJ-UHFFFAOYSA-N
XLogP0.69
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 2,5-dimethyl-1H-pyrrole-3-carboxylate
CID 137482
methyl 1,2,5-trimethyl-1H-pyrrole-3-carboxylate
CID 2742167
ethyl 2,5-dimethyl-1-[3-(4-morpholinyl)propyl]-1H-pyrrole-3-carboxylate
CID 758243
Methyl 2,5-dimethyl-1H-pyrrole-3-carboxylate
CID 592729
Methyl 1-(2-aminoethyl)-2-methyl-5-phenylpyrrole-3-carboxylate;hydrochloride
CID 23640921
ethyl 1,2,5-trimethyl-1H-pyrrole-3-carboxylate
CID 2322899
ethyl 5-[(1E,3E)-5-methoxy-3-methyl-5-oxopenta-1,3-dienyl]-1,2-dimethylpyrrole-3-carboxylate
CID 5388763
methyl 2-oxo-1H,2H,3H-pyrrolo(3,2-b)pyridine-6-carboxylate
CID 57415905
methyl 1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine-8-carboxylate
CID 82600577
ethyl 1H,2H,3H,4H-pyrrolo(1,2-a)pyrazine-7-carboxylate hydrochloride
CID 133080643
methyl 5-(aminomethyl)-1,2-dimethyl-1H-pyrrole-3-carboxylate
CID 124252768
Methyl 5-(pyrrolidin-1-yl)pyridine-3-carboxylate
CID 124706431

Frequently Asked Questions

What is the IUPAC name of methyl 6-methyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-7-carboxylate?
The IUPAC name of methyl 6-methyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-7-carboxylate (CID 166000695) is methyl 6-methyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-7-carboxylate.
What is the SMILES notation for methyl 6-methyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-7-carboxylate?
The canonical SMILES for methyl 6-methyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-7-carboxylate is COC(=O)c1cc2n(c1C)CCNC2.
What is the InChIKey of methyl 6-methyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-7-carboxylate?
The InChIKey is NMLQKXWDFDYVEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-7-9(10(13)14-2)5-8-6-11-3-4-12(7)8/h5,11H,3-4,6H2,1-2H3.
What are the key properties of methyl 6-methyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-7-carboxylate?
methyl 6-methyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-7-carboxylate has a molecular weight of 194.23 g/mol, XLogP of 0.69, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-methyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-7-carboxylate is sourced from PubChem (CID 166000695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).