(8aS)-6,7,8,8a-tetrahydro-4H-pyrrolo[1,2-a]pyrazine-1,3-dione

C7H10N2O2 — CID 56640963

IUPAC(8aS)-6,7,8,8a-tetrahydro-4H-pyrrolo[1,2-a]pyrazine-1,3-dione
SMILESO=C1CN2CCC[C@H]2C(=O)N1
InChIInChI=1S/C7H10N2O2/c10-6-4-9-3-1-2-5(9)7(11)8-6/h5H,1-4H2,(H,8,10,11)/t5-/m0/s1
InChIKeyXVAFYXHQHVPMHE-YFKPBYRVSA-N
MW154.17 g/mol
LogP-0.89
Rot. Bonds

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

(8aS)-6,7,8,8a-tetrahydro-4H-pyrrolo[1,2-a]pyrazine-1,3-dione (PubChem CID 56640963) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is (8aS)-6,7,8,8a-tetrahydro-4H-pyrrolo[1,2-a]pyrazine-1,3-dione.

Molecular Properties

Compound Name(8aS)-6,7,8,8a-tetrahydro-4H-pyrrolo[1,2-a]pyrazine-1,3-dione
PubChem CID56640963
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name(8aS)-6,7,8,8a-tetrahydro-4H-pyrrolo[1,2-a]pyrazine-1,3-dione
SMILESO=C1CN2CCC[C@H]2C(=O)N1
InChIInChI=1S/C7H10N2O2/c10-6-4-9-3-1-2-5(9)7(11)8-6/h5H,1-4H2,(H,8,10,11)/t5-/m0/s1
InChIKeyXVAFYXHQHVPMHE-YFKPBYRVSA-N
XLogP-0.89
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 5-0.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (8aS)-6,7,8,8a-tetrahydro-4H-pyrrolo[1,2-a]pyrazine-1,3-dione?
The IUPAC name of (8aS)-6,7,8,8a-tetrahydro-4H-pyrrolo[1,2-a]pyrazine-1,3-dione (CID 56640963) is (8aS)-6,7,8,8a-tetrahydro-4H-pyrrolo[1,2-a]pyrazine-1,3-dione.
What is the SMILES notation for (8aS)-6,7,8,8a-tetrahydro-4H-pyrrolo[1,2-a]pyrazine-1,3-dione?
The canonical SMILES for (8aS)-6,7,8,8a-tetrahydro-4H-pyrrolo[1,2-a]pyrazine-1,3-dione is O=C1CN2CCC[C@H]2C(=O)N1.
What is the InChIKey of (8aS)-6,7,8,8a-tetrahydro-4H-pyrrolo[1,2-a]pyrazine-1,3-dione?
The InChIKey is XVAFYXHQHVPMHE-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H10N2O2/c10-6-4-9-3-1-2-5(9)7(11)8-6/h5H,1-4H2,(H,8,10,11)/t5-/m0/s1.
What are the key properties of (8aS)-6,7,8,8a-tetrahydro-4H-pyrrolo[1,2-a]pyrazine-1,3-dione?
(8aS)-6,7,8,8a-tetrahydro-4H-pyrrolo[1,2-a]pyrazine-1,3-dione has a molecular weight of 154.17 g/mol, XLogP of -0.89, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8aS)-6,7,8,8a-tetrahydro-4H-pyrrolo[1,2-a]pyrazine-1,3-dione is sourced from PubChem (CID 56640963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).