7-acetyl-2-benzyl-8-hydroxy-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;ethane

C20H28N2O3 — CID 90901471

IUPAC7-acetyl-2-benzyl-8-hydroxy-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;ethane
SMILESCC.CC.CC(=O)c1cn2c(c1O)C(=O)N(Cc1ccccc1)CC2
InChIInChI=1S/C16H16N2O3.2C2H6/c1-11(19)13-10-17-7-8-18(16(21)14(17)15(13)20)9-12-5-3-2-4-6-12;2*1-2/h2-6,10,20H,7-9H2,1H3;2*1-2H3
InChIKeyWZHACIRXXPHDDX-UHFFFAOYSA-N
MW344.46 g/mol
LogP4.10
Rot. Bonds3

About 7-acetyl-2-benzyl-8-hydroxy-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;ethane

7-acetyl-2-benzyl-8-hydroxy-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;ethane (PubChem CID 90901471) has the molecular formula C20H28N2O3 and a molecular weight of 344.46 g/mol. Its IUPAC name is 7-acetyl-2-benzyl-8-hydroxy-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;ethane.

Molecular Properties

Compound Name7-acetyl-2-benzyl-8-hydroxy-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;ethane
PubChem CID90901471
Molecular FormulaC20H28N2O3
Molecular Weight344.46 g/mol
Exact Mass344.21
IUPAC Name7-acetyl-2-benzyl-8-hydroxy-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;ethane
SMILESCC.CC.CC(=O)c1cn2c(c1O)C(=O)N(Cc1ccccc1)CC2
InChIInChI=1S/C16H16N2O3.2C2H6/c1-11(19)13-10-17-7-8-18(16(21)14(17)15(13)20)9-12-5-3-2-4-6-12;2*1-2/h2-6,10,20H,7-9H2,1H3;2*1-2H3
InChIKeyWZHACIRXXPHDDX-UHFFFAOYSA-N
XLogP4.10
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

9-hydroxy-1,8-dioxo-2-(pyridin-3-ylmethyl)-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylic acid
CID 134385056
2-[(3-chloro-4-methylphenyl)methyl]-8-hydroxy-N-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxamide
CID 142901503
N-cyclopropyl-2-[(4-fluorophenyl)methyl]-8-hydroxy-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxamide
CID 3011072
2-[(3,4-difluorophenyl)methyl]-8-hydroxy-N-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxamide
CID 3011082
1-benzyl-4-methylpiperazine-2,3-dione;ethane
CID 142485528
9-hydroxy-2-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylic acid
CID 134385066
N-[1-[2-[(4-fluorophenyl)methyl]-9-hydroxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-7-yl]ethyl]-N-methylacetamide
CID 54706839
methyl 2-[(3-chlorophenyl)methyl]-1,8-dioxo-9-phenylmethoxy-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylate
CID 23077483
9-hydroxy-2-(2-hydroxyethyl)-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylic acid
CID 91540634
1-(1-benzyl-2,3-dihydroindol-7-yl)ethanone
CID 115107236
2-[(4-fluorophenyl)methyl]-8-(hydroxymethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxamide
CID 69171460
2-benzyl-3-(tert-butylcarbamoyl)-9-hydroxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylic acid
CID 150694577

Frequently Asked Questions

What is the IUPAC name of 7-acetyl-2-benzyl-8-hydroxy-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;ethane?
The IUPAC name of 7-acetyl-2-benzyl-8-hydroxy-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;ethane (CID 90901471) is 7-acetyl-2-benzyl-8-hydroxy-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;ethane.
What is the SMILES notation for 7-acetyl-2-benzyl-8-hydroxy-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;ethane?
The canonical SMILES for 7-acetyl-2-benzyl-8-hydroxy-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;ethane is CC.CC.CC(=O)c1cn2c(c1O)C(=O)N(Cc1ccccc1)CC2.
What is the InChIKey of 7-acetyl-2-benzyl-8-hydroxy-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;ethane?
The InChIKey is WZHACIRXXPHDDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3.2C2H6/c1-11(19)13-10-17-7-8-18(16(21)14(17)15(13)20)9-12-5-3-2-4-6-12;2*1-2/h2-6,10,20H,7-9H2,1H3;2*1-2H3.
What are the key properties of 7-acetyl-2-benzyl-8-hydroxy-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;ethane?
7-acetyl-2-benzyl-8-hydroxy-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;ethane has a molecular weight of 344.46 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-acetyl-2-benzyl-8-hydroxy-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;ethane is sourced from PubChem (CID 90901471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).