5-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)furan-2-carboxylic acid

C12H14N2O4 — CID 82863251

IUPAC5-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)furan-2-carboxylic acid
SMILESO=C(O)c1ccc(N2CCN3C(=O)CCC3C2)o1
InChIInChI=1S/C12H14N2O4/c15-10-3-1-8-7-13(5-6-14(8)10)11-4-2-9(18-11)12(16)17/h2,4,8H,1,3,5-7H2,(H,16,17)
InChIKeyMTLVNIUESGQBLD-UHFFFAOYSA-N
MW250.25 g/mol
LogP0.79
Rot. Bonds2

About 5-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)furan-2-carboxylic acid

5-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)furan-2-carboxylic acid (PubChem CID 82863251) has the molecular formula C12H14N2O4 and a molecular weight of 250.25 g/mol. Its IUPAC name is 5-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)furan-2-carboxylic acid
PubChem CID82863251
Molecular FormulaC12H14N2O4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC Name5-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)furan-2-carboxylic acid
SMILESO=C(O)c1ccc(N2CCN3C(=O)CCC3C2)o1
InChIInChI=1S/C12H14N2O4/c15-10-3-1-8-7-13(5-6-14(8)10)11-4-2-9(18-11)12(16)17/h2,4,8H,1,3,5-7H2,(H,16,17)
InChIKeyMTLVNIUESGQBLD-UHFFFAOYSA-N
XLogP0.79
TPSA73.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-bromofuran-2-carbonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82862946
2-(3-oxocyclopenten-1-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 104788033
4-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carbonyl)benzoic acid
CID 82856451
2-[6-(1-hydroxyethyl)-3-pyridinyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 83131578
2-[2-(furan-2-yl)-2-oxoethyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82863884
2-[6-[(1R)-1-hydroxyethyl]-3-pyridinyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 83131663
ethane;2-(2-methylphenyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 143850031
5-piperazin-1-ylfuran-2-carboxylic acid
CID 55210586
5-thiomorpholin-4-ylfuran-2-carboxylic acid
CID 62204593
N-benzyl-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboxamide
CID 103876130
2-benzyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 10492024
2-acetyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 58166183

Frequently Asked Questions

What is the IUPAC name of 5-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)furan-2-carboxylic acid?
The IUPAC name of 5-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)furan-2-carboxylic acid (CID 82863251) is 5-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)furan-2-carboxylic acid.
What is the SMILES notation for 5-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)furan-2-carboxylic acid?
The canonical SMILES for 5-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)furan-2-carboxylic acid is O=C(O)c1ccc(N2CCN3C(=O)CCC3C2)o1.
What is the InChIKey of 5-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)furan-2-carboxylic acid?
The InChIKey is MTLVNIUESGQBLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4/c15-10-3-1-8-7-13(5-6-14(8)10)11-4-2-9(18-11)12(16)17/h2,4,8H,1,3,5-7H2,(H,16,17).
What are the key properties of 5-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)furan-2-carboxylic acid?
5-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)furan-2-carboxylic acid has a molecular weight of 250.25 g/mol, XLogP of 0.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)furan-2-carboxylic acid is sourced from PubChem (CID 82863251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).