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

C15H13ClN2O3 — CID 56766546

IUPAC2-[7-(3-chlorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetic acid
SMILESO=C(O)CC1CNC(=O)c2cc(-c3cccc(Cl)c3)cn21
InChIInChI=1S/C15H13ClN2O3/c16-11-3-1-2-9(4-11)10-5-13-15(21)17-7-12(6-14(19)20)18(13)8-10/h1-5,8,12H,6-7H2,(H,17,21)(H,19,20)
InChIKeyLYUYEQYCKKZABX-UHFFFAOYSA-N
MW304.73 g/mol
LogP2.57
Rot. Bonds3

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

2-[7-(3-chlorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetic acid (PubChem CID 56766546) has the molecular formula C15H13ClN2O3 and a molecular weight of 304.73 g/mol. Its IUPAC name is 2-[7-(3-chlorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[7-(3-chlorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetic acid
PubChem CID56766546
Molecular FormulaC15H13ClN2O3
Molecular Weight304.73 g/mol
Exact Mass304.06
IUPAC Name2-[7-(3-chlorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetic acid
SMILESO=C(O)CC1CNC(=O)c2cc(-c3cccc(Cl)c3)cn21
InChIInChI=1S/C15H13ClN2O3/c16-11-3-1-2-9(4-11)10-5-13-15(21)17-7-12(6-14(19)20)18(13)8-10/h1-5,8,12H,6-7H2,(H,17,21)(H,19,20)
InChIKeyLYUYEQYCKKZABX-UHFFFAOYSA-N
XLogP2.57
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.73
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[7-(3-chlorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetic acid?
The IUPAC name of 2-[7-(3-chlorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetic acid (CID 56766546) is 2-[7-(3-chlorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetic acid.
What is the SMILES notation for 2-[7-(3-chlorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetic acid?
The canonical SMILES for 2-[7-(3-chlorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetic acid is O=C(O)CC1CNC(=O)c2cc(-c3cccc(Cl)c3)cn21.
What is the InChIKey of 2-[7-(3-chlorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetic acid?
The InChIKey is LYUYEQYCKKZABX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O3/c16-11-3-1-2-9(4-11)10-5-13-15(21)17-7-12(6-14(19)20)18(13)8-10/h1-5,8,12H,6-7H2,(H,17,21)(H,19,20).
What are the key properties of 2-[7-(3-chlorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetic acid?
2-[7-(3-chlorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetic acid has a molecular weight of 304.73 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(3-chlorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetic acid is sourced from PubChem (CID 56766546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).