ethyl 2-benzyl-8-hydroxy-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxylate

C17H18N2O4 — CID 3011066

IUPACethyl 2-benzyl-8-hydroxy-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxylate
SMILESCCOC(=O)c1cn2c(c1O)C(=O)N(Cc1ccccc1)CC2
InChIInChI=1S/C17H18N2O4/c1-2-23-17(22)13-11-18-8-9-19(16(21)14(18)15(13)20)10-12-6-4-3-5-7-12/h3-7,11,20H,2,8-10H2,1H3
InChIKeyLTBUMDNUQOPONC-UHFFFAOYSA-N
MW314.34 g/mol
LogP2.03
Rot. Bonds4

About ethyl 2-benzyl-8-hydroxy-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxylate

ethyl 2-benzyl-8-hydroxy-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxylate (PubChem CID 3011066) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is ethyl 2-benzyl-8-hydroxy-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxylate.

Molecular Properties

Compound Nameethyl 2-benzyl-8-hydroxy-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxylate
PubChem CID3011066
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC Nameethyl 2-benzyl-8-hydroxy-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxylate
SMILESCCOC(=O)c1cn2c(c1O)C(=O)N(Cc1ccccc1)CC2
InChIInChI=1S/C17H18N2O4/c1-2-23-17(22)13-11-18-8-9-19(16(21)14(18)15(13)20)10-12-6-4-3-5-7-12/h3-7,11,20H,2,8-10H2,1H3
InChIKeyLTBUMDNUQOPONC-UHFFFAOYSA-N
XLogP2.03
TPSA71.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-Benzyl-8-hydroxy-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxylic acid
CID 3011067
Ethyl 2-[(4-fluorophenyl)methyl]-8-hydroxy-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxylate
CID 3011068
Ethyl 2-[(3-chlorophenyl)methyl]-8-hydroxy-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxylate
CID 3011073
2-[(3-Chlorophenyl)methyl]-8-hydroxy-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxylic acid
CID 3011074
Ethyl 2-[(3-fluorophenyl)methyl]-8-hydroxy-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxylate
CID 3011076
Ethyl 2-[(4-chlorophenyl)methyl]-8-hydroxy-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxylate
CID 3011078
Ethyl 2-[(3-chloro-4-fluoro-phenyl)methyl]-8-hydroxy-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxylate
CID 3011079
Ethyl 2-[(3,4-dichlorophenyl)methyl]-8-hydroxy-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxylate
CID 3011080
3,3-Dimethylbutan-2-yl 2-benzyl-8-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxylate
CID 44408472
2-O-tert-butyl 4-O-ethyl 1-benzyl-3-hydroxypyrrole-2,4-dicarboxylate
CID 54687247
Ethyl 2-[2-(4-fluorophenyl)ethyl]-7-hydroxy-1,3-dioxopyrrolo[3,4-c]pyridine-4-carboxylate
CID 122187058
Ethyl 7-hydroxy-2-[2-(4-methylphenyl)ethyl]-1,3-dioxopyrrolo[3,4-c]pyridine-4-carboxylate
CID 122187059

Frequently Asked Questions

What is the IUPAC name of ethyl 2-benzyl-8-hydroxy-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxylate?
The IUPAC name of ethyl 2-benzyl-8-hydroxy-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxylate (CID 3011066) is ethyl 2-benzyl-8-hydroxy-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxylate.
What is the SMILES notation for ethyl 2-benzyl-8-hydroxy-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxylate?
The canonical SMILES for ethyl 2-benzyl-8-hydroxy-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxylate is CCOC(=O)c1cn2c(c1O)C(=O)N(Cc1ccccc1)CC2.
What is the InChIKey of ethyl 2-benzyl-8-hydroxy-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxylate?
The InChIKey is LTBUMDNUQOPONC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4/c1-2-23-17(22)13-11-18-8-9-19(16(21)14(18)15(13)20)10-12-6-4-3-5-7-12/h3-7,11,20H,2,8-10H2,1H3.
What are the key properties of ethyl 2-benzyl-8-hydroxy-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxylate?
ethyl 2-benzyl-8-hydroxy-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxylate has a molecular weight of 314.34 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-benzyl-8-hydroxy-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxylate is sourced from PubChem (CID 3011066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).