(8aR)-2-[2-(furan-2-yl)-2-oxoethyl]-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione

C13H14N2O4 — CID 139586174

IUPAC(8aR)-2-[2-(furan-2-yl)-2-oxoethyl]-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
SMILESO=C(CN1CC(=O)N2CCC[C@@H]2C1=O)c1ccco1
InChIInChI=1S/C13H14N2O4/c16-10(11-4-2-6-19-11)7-14-8-12(17)15-5-1-3-9(15)13(14)18/h2,4,6,9H,1,3,5,7-8H2/t9-/m1/s1
InChIKeyPIVMKGZOXZAFPM-SECBINFHSA-N
MW262.26 g/mol
LogP0.30
Rot. Bonds3

About (8aR)-2-[2-(furan-2-yl)-2-oxoethyl]-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione

(8aR)-2-[2-(furan-2-yl)-2-oxoethyl]-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione (PubChem CID 139586174) has the molecular formula C13H14N2O4 and a molecular weight of 262.26 g/mol. Its IUPAC name is (8aR)-2-[2-(furan-2-yl)-2-oxoethyl]-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione.

Molecular Properties

Compound Name(8aR)-2-[2-(furan-2-yl)-2-oxoethyl]-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
PubChem CID139586174
Molecular FormulaC13H14N2O4
Molecular Weight262.26 g/mol
Exact Mass262.10
IUPAC Name(8aR)-2-[2-(furan-2-yl)-2-oxoethyl]-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
SMILESO=C(CN1CC(=O)N2CCC[C@@H]2C1=O)c1ccco1
InChIInChI=1S/C13H14N2O4/c16-10(11-4-2-6-19-11)7-14-8-12(17)15-5-1-3-9(15)13(14)18/h2,4,6,9H,1,3,5,7-8H2/t9-/m1/s1
InChIKeyPIVMKGZOXZAFPM-SECBINFHSA-N
XLogP0.30
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (8aR)-2-[2-(furan-2-yl)-2-oxoethyl]-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione?
The IUPAC name of (8aR)-2-[2-(furan-2-yl)-2-oxoethyl]-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione (CID 139586174) is (8aR)-2-[2-(furan-2-yl)-2-oxoethyl]-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione.
What is the SMILES notation for (8aR)-2-[2-(furan-2-yl)-2-oxoethyl]-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione?
The canonical SMILES for (8aR)-2-[2-(furan-2-yl)-2-oxoethyl]-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione is O=C(CN1CC(=O)N2CCC[C@@H]2C1=O)c1ccco1.
What is the InChIKey of (8aR)-2-[2-(furan-2-yl)-2-oxoethyl]-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione?
The InChIKey is PIVMKGZOXZAFPM-SECBINFHSA-N. The full InChI is InChI=1S/C13H14N2O4/c16-10(11-4-2-6-19-11)7-14-8-12(17)15-5-1-3-9(15)13(14)18/h2,4,6,9H,1,3,5,7-8H2/t9-/m1/s1.
What are the key properties of (8aR)-2-[2-(furan-2-yl)-2-oxoethyl]-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione?
(8aR)-2-[2-(furan-2-yl)-2-oxoethyl]-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione has a molecular weight of 262.26 g/mol, XLogP of 0.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8aR)-2-[2-(furan-2-yl)-2-oxoethyl]-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione is sourced from PubChem (CID 139586174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).