ethyl 3-(7-formyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl)propanoate

C13H16N2O4 — CID 166876487

IUPACethyl 3-(7-formyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl)propanoate
SMILESCCOC(=O)CCN1CCn2cc(C=O)cc2C1=O
InChIInChI=1S/C13H16N2O4/c1-2-19-12(17)3-4-14-5-6-15-8-10(9-16)7-11(15)13(14)18/h7-9H,2-6H2,1H3
InChIKeySQSQCLXZASBRGC-UHFFFAOYSA-N
MW264.28 g/mol
LogP0.71
Rot. Bonds5

About ethyl 3-(7-formyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl)propanoate

ethyl 3-(7-formyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl)propanoate (PubChem CID 166876487) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is ethyl 3-(7-formyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl)propanoate.

Molecular Properties

Compound Nameethyl 3-(7-formyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl)propanoate
PubChem CID166876487
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Nameethyl 3-(7-formyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl)propanoate
SMILESCCOC(=O)CCN1CCn2cc(C=O)cc2C1=O
InChIInChI=1S/C13H16N2O4/c1-2-19-12(17)3-4-14-5-6-15-8-10(9-16)7-11(15)13(14)18/h7-9H,2-6H2,1H3
InChIKeySQSQCLXZASBRGC-UHFFFAOYSA-N
XLogP0.71
TPSA68.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(7-formyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl)propanoate?
The IUPAC name of ethyl 3-(7-formyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl)propanoate (CID 166876487) is ethyl 3-(7-formyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl)propanoate.
What is the SMILES notation for ethyl 3-(7-formyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl)propanoate?
The canonical SMILES for ethyl 3-(7-formyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl)propanoate is CCOC(=O)CCN1CCn2cc(C=O)cc2C1=O.
What is the InChIKey of ethyl 3-(7-formyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl)propanoate?
The InChIKey is SQSQCLXZASBRGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-2-19-12(17)3-4-14-5-6-15-8-10(9-16)7-11(15)13(14)18/h7-9H,2-6H2,1H3.
What are the key properties of ethyl 3-(7-formyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl)propanoate?
ethyl 3-(7-formyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl)propanoate has a molecular weight of 264.28 g/mol, XLogP of 0.71, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(7-formyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl)propanoate is sourced from PubChem (CID 166876487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).