ethyl 2-[7-(3-chlorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetate

C17H17ClN2O3 — CID 86731547

IUPACethyl 2-[7-(3-chlorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetate
SMILESCCOC(=O)CC1CNC(=O)c2cc(-c3cccc(Cl)c3)cn21
InChIInChI=1S/C17H17ClN2O3/c1-2-23-16(21)8-14-9-19-17(22)15-7-12(10-20(14)15)11-4-3-5-13(18)6-11/h3-7,10,14H,2,8-9H2,1H3,(H,19,22)
InChIKeyNRMUPLMTZQSRGX-UHFFFAOYSA-N
MW332.79 g/mol
LogP3.05
Rot. Bonds4

About ethyl 2-[7-(3-chlorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetate

ethyl 2-[7-(3-chlorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetate (PubChem CID 86731547) has the molecular formula C17H17ClN2O3 and a molecular weight of 332.79 g/mol. Its IUPAC name is ethyl 2-[7-(3-chlorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[7-(3-chlorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetate
PubChem CID86731547
Molecular FormulaC17H17ClN2O3
Molecular Weight332.79 g/mol
Exact Mass332.09
IUPAC Nameethyl 2-[7-(3-chlorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetate
SMILESCCOC(=O)CC1CNC(=O)c2cc(-c3cccc(Cl)c3)cn21
InChIInChI=1S/C17H17ClN2O3/c1-2-23-16(21)8-14-9-19-17(22)15-7-12(10-20(14)15)11-4-3-5-13(18)6-11/h3-7,10,14H,2,8-9H2,1H3,(H,19,22)
InChIKeyNRMUPLMTZQSRGX-UHFFFAOYSA-N
XLogP3.05
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[7-(3-chlorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[7-(3-chlorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetate?
The IUPAC name of ethyl 2-[7-(3-chlorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetate (CID 86731547) is ethyl 2-[7-(3-chlorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetate.
What is the SMILES notation for ethyl 2-[7-(3-chlorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetate?
The canonical SMILES for ethyl 2-[7-(3-chlorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetate is CCOC(=O)CC1CNC(=O)c2cc(-c3cccc(Cl)c3)cn21.
What is the InChIKey of ethyl 2-[7-(3-chlorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetate?
The InChIKey is NRMUPLMTZQSRGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O3/c1-2-23-16(21)8-14-9-19-17(22)15-7-12(10-20(14)15)11-4-3-5-13(18)6-11/h3-7,10,14H,2,8-9H2,1H3,(H,19,22).
What are the key properties of ethyl 2-[7-(3-chlorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetate?
ethyl 2-[7-(3-chlorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetate has a molecular weight of 332.79 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[7-(3-chlorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetate is sourced from PubChem (CID 86731547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).