ethyl 3-(3-methyl-3,4-dihydropyrrolo[1,2-a]pyrazin-1-yl)propanoate

C13H18N2O2 — CID 123421059

IUPACethyl 3-(3-methyl-3,4-dihydropyrrolo[1,2-a]pyrazin-1-yl)propanoate
SMILESCCOC(=O)CCC1=NC(C)Cn2cccc21
InChIInChI=1S/C13H18N2O2/c1-3-17-13(16)7-6-11-12-5-4-8-15(12)9-10(2)14-11/h4-5,8,10H,3,6-7,9H2,1-2H3
InChIKeySSUCHFMEAGDLMU-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.02
Rot. Bonds4

About ethyl 3-(3-methyl-3,4-dihydropyrrolo[1,2-a]pyrazin-1-yl)propanoate

ethyl 3-(3-methyl-3,4-dihydropyrrolo[1,2-a]pyrazin-1-yl)propanoate (PubChem CID 123421059) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is ethyl 3-(3-methyl-3,4-dihydropyrrolo[1,2-a]pyrazin-1-yl)propanoate.

Molecular Properties

Compound Nameethyl 3-(3-methyl-3,4-dihydropyrrolo[1,2-a]pyrazin-1-yl)propanoate
PubChem CID123421059
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Nameethyl 3-(3-methyl-3,4-dihydropyrrolo[1,2-a]pyrazin-1-yl)propanoate
SMILESCCOC(=O)CCC1=NC(C)Cn2cccc21
InChIInChI=1S/C13H18N2O2/c1-3-17-13(16)7-6-11-12-5-4-8-15(12)9-10(2)14-11/h4-5,8,10H,3,6-7,9H2,1-2H3
InChIKeySSUCHFMEAGDLMU-UHFFFAOYSA-N
XLogP2.02
TPSA43.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-(1-methylpyrrol-2-yl)propanoate
CID 69110219
ethyl 1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-3-carboxylate
CID 131388397
ethyl 3-[3-(3-ethoxy-3-oxopropyl)phenyl]propanoate
CID 69039070
ethyl 3-indolizin-2-ylpropanoate
CID 58034228
ethyl 3-(7-azabicyclo[4.1.0]hepta-1,3,5-trien-7-yl)propanoate
CID 142874027
ethyl 2,3-dihydro-1H-pyrrolizine-1-carboxylate
CID 13077382
ethyl 3-[2-(3,4-dimethylpyrrolidin-1-yl)-1,3-thiazol-4-yl]propanoate
CID 103487842
ethyl 2-(1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-1-yl)acetate
CID 59486375
ethyl 5-(5H-imidazo[5,1-a]isoindol-3-yl)pentanoate
CID 141322532
ethyl 3-[(2-fluoro-1,3-diaza-2-boratricyclo[7.3.0.03,7]dodeca-4,6,9,11-tetraen-8-ylidene)amino]propanoate
CID 137160921
ethyl 4-(3,4-dihydroxypyrrolidin-1-yl)-4-oxobutanoate
CID 106668262
ethyl 4-methylpentanoate;ethyl 3-phenylpropanoate
CID 174922594

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(3-methyl-3,4-dihydropyrrolo[1,2-a]pyrazin-1-yl)propanoate?
The IUPAC name of ethyl 3-(3-methyl-3,4-dihydropyrrolo[1,2-a]pyrazin-1-yl)propanoate (CID 123421059) is ethyl 3-(3-methyl-3,4-dihydropyrrolo[1,2-a]pyrazin-1-yl)propanoate.
What is the SMILES notation for ethyl 3-(3-methyl-3,4-dihydropyrrolo[1,2-a]pyrazin-1-yl)propanoate?
The canonical SMILES for ethyl 3-(3-methyl-3,4-dihydropyrrolo[1,2-a]pyrazin-1-yl)propanoate is CCOC(=O)CCC1=NC(C)Cn2cccc21.
What is the InChIKey of ethyl 3-(3-methyl-3,4-dihydropyrrolo[1,2-a]pyrazin-1-yl)propanoate?
The InChIKey is SSUCHFMEAGDLMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-3-17-13(16)7-6-11-12-5-4-8-15(12)9-10(2)14-11/h4-5,8,10H,3,6-7,9H2,1-2H3.
What are the key properties of ethyl 3-(3-methyl-3,4-dihydropyrrolo[1,2-a]pyrazin-1-yl)propanoate?
ethyl 3-(3-methyl-3,4-dihydropyrrolo[1,2-a]pyrazin-1-yl)propanoate has a molecular weight of 234.30 g/mol, XLogP of 2.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(3-methyl-3,4-dihydropyrrolo[1,2-a]pyrazin-1-yl)propanoate is sourced from PubChem (CID 123421059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).