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

C11H18N2O4 — CID 103739678

IUPAC2-(2-hydroxy-3-methoxypropyl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
SMILESCOCC(O)CN1CC(=O)N2CCCC2C1=O
InChIInChI=1S/C11H18N2O4/c1-17-7-8(14)5-12-6-10(15)13-4-2-3-9(13)11(12)16/h8-9,14H,2-7H2,1H3
InChIKeyJKQBBJXUXGKFOZ-UHFFFAOYSA-N
MW242.27 g/mol
LogP-1.17
Rot. Bonds4

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

2-(2-hydroxy-3-methoxypropyl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione (PubChem CID 103739678) has the molecular formula C11H18N2O4 and a molecular weight of 242.27 g/mol. Its IUPAC name is 2-(2-hydroxy-3-methoxypropyl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione.

Molecular Properties

Compound Name2-(2-hydroxy-3-methoxypropyl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
PubChem CID103739678
Molecular FormulaC11H18N2O4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC Name2-(2-hydroxy-3-methoxypropyl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
SMILESCOCC(O)CN1CC(=O)N2CCCC2C1=O
InChIInChI=1S/C11H18N2O4/c1-17-7-8(14)5-12-6-10(15)13-4-2-3-9(13)11(12)16/h8-9,14H,2-7H2,1H3
InChIKeyJKQBBJXUXGKFOZ-UHFFFAOYSA-N
XLogP-1.17
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 5-1.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-3-methoxypropyl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione?
The IUPAC name of 2-(2-hydroxy-3-methoxypropyl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione (CID 103739678) is 2-(2-hydroxy-3-methoxypropyl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione.
What is the SMILES notation for 2-(2-hydroxy-3-methoxypropyl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione?
The canonical SMILES for 2-(2-hydroxy-3-methoxypropyl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione is COCC(O)CN1CC(=O)N2CCCC2C1=O.
What is the InChIKey of 2-(2-hydroxy-3-methoxypropyl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione?
The InChIKey is JKQBBJXUXGKFOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4/c1-17-7-8(14)5-12-6-10(15)13-4-2-3-9(13)11(12)16/h8-9,14H,2-7H2,1H3.
What are the key properties of 2-(2-hydroxy-3-methoxypropyl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione?
2-(2-hydroxy-3-methoxypropyl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione has a molecular weight of 242.27 g/mol, XLogP of -1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-3-methoxypropyl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione is sourced from PubChem (CID 103739678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).