2-(2,2-dimethoxyethyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one

C11H20N2O3 — CID 82863676

IUPAC2-(2,2-dimethoxyethyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
SMILESCOC(CN1CCN2C(=O)CCC2C1)OC
InChIInChI=1S/C11H20N2O3/c1-15-11(16-2)8-12-5-6-13-9(7-12)3-4-10(13)14/h9,11H,3-8H2,1-2H3
InChIKeyZAYQFWGKDXBCDS-UHFFFAOYSA-N
MW228.29 g/mol
LogP-0.09
Rot. Bonds4

About 2-(2,2-dimethoxyethyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one

2-(2,2-dimethoxyethyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one (PubChem CID 82863676) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-(2,2-dimethoxyethyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one.

Molecular Properties

Compound Name2-(2,2-dimethoxyethyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
PubChem CID82863676
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name2-(2,2-dimethoxyethyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
SMILESCOC(CN1CCN2C(=O)CCC2C1)OC
InChIInChI=1S/C11H20N2O3/c1-15-11(16-2)8-12-5-6-13-9(7-12)3-4-10(13)14/h9,11H,3-8H2,1-2H3
InChIKeyZAYQFWGKDXBCDS-UHFFFAOYSA-N
XLogP-0.09
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 5-0.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2-(2,2-dimethoxyethyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethoxyethyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The IUPAC name of 2-(2,2-dimethoxyethyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one (CID 82863676) is 2-(2,2-dimethoxyethyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one.
What is the SMILES notation for 2-(2,2-dimethoxyethyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The canonical SMILES for 2-(2,2-dimethoxyethyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one is COC(CN1CCN2C(=O)CCC2C1)OC.
What is the InChIKey of 2-(2,2-dimethoxyethyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The InChIKey is ZAYQFWGKDXBCDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-15-11(16-2)8-12-5-6-13-9(7-12)3-4-10(13)14/h9,11H,3-8H2,1-2H3.
What are the key properties of 2-(2,2-dimethoxyethyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
2-(2,2-dimethoxyethyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one has a molecular weight of 228.29 g/mol, XLogP of -0.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethoxyethyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one is sourced from PubChem (CID 82863676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).