methyl 2-(1-oxo-2H-pyrrolo[1,2-a]pyrazin-4-yl)acetate

C10H10N2O3 — CID 127038583

IUPACmethyl 2-(1-oxo-2H-pyrrolo[1,2-a]pyrazin-4-yl)acetate
SMILESCOC(=O)Cc1c[nH]c(=O)c2cccn12
InChIInChI=1S/C10H10N2O3/c1-15-9(13)5-7-6-11-10(14)8-3-2-4-12(7)8/h2-4,6H,5H2,1H3,(H,11,14)
InChIKeyYRUAPFBYYMMWBK-UHFFFAOYSA-N
MW206.20 g/mol
LogP0.34
Rot. Bonds2

About methyl 2-(1-oxo-2H-pyrrolo[1,2-a]pyrazin-4-yl)acetate

methyl 2-(1-oxo-2H-pyrrolo[1,2-a]pyrazin-4-yl)acetate (PubChem CID 127038583) has the molecular formula C10H10N2O3 and a molecular weight of 206.20 g/mol. Its IUPAC name is methyl 2-(1-oxo-2H-pyrrolo[1,2-a]pyrazin-4-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(1-oxo-2H-pyrrolo[1,2-a]pyrazin-4-yl)acetate
PubChem CID127038583
Molecular FormulaC10H10N2O3
Molecular Weight206.20 g/mol
Exact Mass206.07
IUPAC Namemethyl 2-(1-oxo-2H-pyrrolo[1,2-a]pyrazin-4-yl)acetate
SMILESCOC(=O)Cc1c[nH]c(=O)c2cccn12
InChIInChI=1S/C10H10N2O3/c1-15-9(13)5-7-6-11-10(14)8-3-2-4-12(7)8/h2-4,6H,5H2,1H3,(H,11,14)
InChIKeyYRUAPFBYYMMWBK-UHFFFAOYSA-N
XLogP0.34
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1H-pyrrole-2-carboxamide
CID 573553
N-propargyl-1H-pyrrole-2-carboxamide
CID 16110305
6-methyl-1,6-dihydro-7H-pyrrolo[2,3-c]pyridin-7-one
CID 638578
N-cyclohexyl-1-methylpyrrole-2-carboxamide
CID 24978957
Peramine
CID 114748
N-methyl-N-(prop-2-yn-1-yl)-1H-pyrrole-2-carboxamide
CID 11008237
N,1-dimethyl-N-(prop-2-yn-1-yl)-1H-pyrrole-2-carboxamide
CID 16110301
Methyl 4-(pyridine-2-carbonylamino)butanoate
CID 2466151
1-methyl-N-(4-methylcyclohexyl)pyrrole-2-carboxamide
CID 25161651
1H-Pyrrole-2-carboxylic acid (2-morpholin-4-yl-ethyl)-amide
CID 10878782
N-benzyl-1-methyl-1H-pyrrole-2-carboxamide
CID 11127627
N-(cyclohexylmethyl)-1-methylpyrrole-2-carboxamide
CID 24819634

Frequently Asked Questions

What is the IUPAC name of methyl 2-(1-oxo-2H-pyrrolo[1,2-a]pyrazin-4-yl)acetate?
The IUPAC name of methyl 2-(1-oxo-2H-pyrrolo[1,2-a]pyrazin-4-yl)acetate (CID 127038583) is methyl 2-(1-oxo-2H-pyrrolo[1,2-a]pyrazin-4-yl)acetate.
What is the SMILES notation for methyl 2-(1-oxo-2H-pyrrolo[1,2-a]pyrazin-4-yl)acetate?
The canonical SMILES for methyl 2-(1-oxo-2H-pyrrolo[1,2-a]pyrazin-4-yl)acetate is COC(=O)Cc1c[nH]c(=O)c2cccn12.
What is the InChIKey of methyl 2-(1-oxo-2H-pyrrolo[1,2-a]pyrazin-4-yl)acetate?
The InChIKey is YRUAPFBYYMMWBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3/c1-15-9(13)5-7-6-11-10(14)8-3-2-4-12(7)8/h2-4,6H,5H2,1H3,(H,11,14).
What are the key properties of methyl 2-(1-oxo-2H-pyrrolo[1,2-a]pyrazin-4-yl)acetate?
methyl 2-(1-oxo-2H-pyrrolo[1,2-a]pyrazin-4-yl)acetate has a molecular weight of 206.20 g/mol, XLogP of 0.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1-oxo-2H-pyrrolo[1,2-a]pyrazin-4-yl)acetate is sourced from PubChem (CID 127038583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).