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

C10H14N2O3 — CID 15641900

IUPAC(8aS)-2-hydroxy-3-prop-2-enyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
SMILESC=CCC1C(=O)N2CCC[C@H]2C(=O)N1O
InChIInChI=1S/C10H14N2O3/c1-2-4-8-9(13)11-6-3-5-7(11)10(14)12(8)15/h2,7-8,15H,1,3-6H2/t7-,8?/m0/s1
InChIKeyOBUZCHWVJFBKKH-JAMMHHFISA-N
MW210.23 g/mol
LogP0.15
Rot. Bonds2

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

(8aS)-2-hydroxy-3-prop-2-enyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione (PubChem CID 15641900) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is (8aS)-2-hydroxy-3-prop-2-enyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione.

Molecular Properties

Compound Name(8aS)-2-hydroxy-3-prop-2-enyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
PubChem CID15641900
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name(8aS)-2-hydroxy-3-prop-2-enyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
SMILESC=CCC1C(=O)N2CCC[C@H]2C(=O)N1O
InChIInChI=1S/C10H14N2O3/c1-2-4-8-9(13)11-6-3-5-7(11)10(14)12(8)15/h2,7-8,15H,1,3-6H2/t7-,8?/m0/s1
InChIKeyOBUZCHWVJFBKKH-JAMMHHFISA-N
XLogP0.15
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (8aS)-2-hydroxy-3-prop-2-enyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione?
The IUPAC name of (8aS)-2-hydroxy-3-prop-2-enyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione (CID 15641900) is (8aS)-2-hydroxy-3-prop-2-enyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione.
What is the SMILES notation for (8aS)-2-hydroxy-3-prop-2-enyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione?
The canonical SMILES for (8aS)-2-hydroxy-3-prop-2-enyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione is C=CCC1C(=O)N2CCC[C@H]2C(=O)N1O.
What is the InChIKey of (8aS)-2-hydroxy-3-prop-2-enyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione?
The InChIKey is OBUZCHWVJFBKKH-JAMMHHFISA-N. The full InChI is InChI=1S/C10H14N2O3/c1-2-4-8-9(13)11-6-3-5-7(11)10(14)12(8)15/h2,7-8,15H,1,3-6H2/t7-,8?/m0/s1.
What are the key properties of (8aS)-2-hydroxy-3-prop-2-enyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione?
(8aS)-2-hydroxy-3-prop-2-enyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione has a molecular weight of 210.23 g/mol, XLogP of 0.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8aS)-2-hydroxy-3-prop-2-enyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione is sourced from PubChem (CID 15641900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).