7-(3-acetylphenyl)-4-(2-aminoethyl)-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one

C17H19N3O2 — CID 89487135

IUPAC7-(3-acetylphenyl)-4-(2-aminoethyl)-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one
SMILESCC(=O)c1cccc(-c2cc3n(c2)C(CCN)CNC3=O)c1
InChIInChI=1S/C17H19N3O2/c1-11(21)12-3-2-4-13(7-12)14-8-16-17(22)19-9-15(5-6-18)20(16)10-14/h2-4,7-8,10,15H,5-6,9,18H2,1H3,(H,19,22)
InChIKeyLFNITLQAXBLXMT-UHFFFAOYSA-N
MW297.36 g/mol
LogP1.99
Rot. Bonds4

About 7-(3-acetylphenyl)-4-(2-aminoethyl)-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one

7-(3-acetylphenyl)-4-(2-aminoethyl)-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one (PubChem CID 89487135) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 7-(3-acetylphenyl)-4-(2-aminoethyl)-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one.

Molecular Properties

Compound Name7-(3-acetylphenyl)-4-(2-aminoethyl)-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one
PubChem CID89487135
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name7-(3-acetylphenyl)-4-(2-aminoethyl)-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one
SMILESCC(=O)c1cccc(-c2cc3n(c2)C(CCN)CNC3=O)c1
InChIInChI=1S/C17H19N3O2/c1-11(21)12-3-2-4-13(7-12)14-8-16-17(22)19-9-15(5-6-18)20(16)10-14/h2-4,7-8,10,15H,5-6,9,18H2,1H3,(H,19,22)
InChIKeyLFNITLQAXBLXMT-UHFFFAOYSA-N
XLogP1.99
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(3-acetylphenyl)-4-(2-aminoethyl)-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one?
The IUPAC name of 7-(3-acetylphenyl)-4-(2-aminoethyl)-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one (CID 89487135) is 7-(3-acetylphenyl)-4-(2-aminoethyl)-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one.
What is the SMILES notation for 7-(3-acetylphenyl)-4-(2-aminoethyl)-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one?
The canonical SMILES for 7-(3-acetylphenyl)-4-(2-aminoethyl)-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one is CC(=O)c1cccc(-c2cc3n(c2)C(CCN)CNC3=O)c1.
What is the InChIKey of 7-(3-acetylphenyl)-4-(2-aminoethyl)-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one?
The InChIKey is LFNITLQAXBLXMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-11(21)12-3-2-4-13(7-12)14-8-16-17(22)19-9-15(5-6-18)20(16)10-14/h2-4,7-8,10,15H,5-6,9,18H2,1H3,(H,19,22).
What are the key properties of 7-(3-acetylphenyl)-4-(2-aminoethyl)-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one?
7-(3-acetylphenyl)-4-(2-aminoethyl)-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one has a molecular weight of 297.36 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-acetylphenyl)-4-(2-aminoethyl)-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one is sourced from PubChem (CID 89487135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).