2-(2-methoxyphenyl)-7-prop-2-enyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione

C16H19N3O3 — CID 24734214

IUPAC2-(2-methoxyphenyl)-7-prop-2-enyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione
SMILESC=CCN1CCN2C(=O)N(c3ccccc3OC)C(=O)C2C1
InChIInChI=1S/C16H19N3O3/c1-3-8-17-9-10-18-13(11-17)15(20)19(16(18)21)12-6-4-5-7-14(12)22-2/h3-7,13H,1,8-11H2,2H3
InChIKeyPVFTVCMVKWIGQN-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.33
Rot. Bonds4

About 2-(2-methoxyphenyl)-7-prop-2-enyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione

2-(2-methoxyphenyl)-7-prop-2-enyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione (PubChem CID 24734214) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-7-prop-2-enyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-7-prop-2-enyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione
PubChem CID24734214
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name2-(2-methoxyphenyl)-7-prop-2-enyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione
SMILESC=CCN1CCN2C(=O)N(c3ccccc3OC)C(=O)C2C1
InChIInChI=1S/C16H19N3O3/c1-3-8-17-9-10-18-13(11-17)15(20)19(16(18)21)12-6-4-5-7-14(12)22-2/h3-7,13H,1,8-11H2,2H3
InChIKeyPVFTVCMVKWIGQN-UHFFFAOYSA-N
XLogP1.33
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(2-methoxyphenyl)-7-prop-2-enyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione 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-methoxyphenyl)-7-prop-2-enyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione?
The IUPAC name of 2-(2-methoxyphenyl)-7-prop-2-enyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione (CID 24734214) is 2-(2-methoxyphenyl)-7-prop-2-enyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione.
What is the SMILES notation for 2-(2-methoxyphenyl)-7-prop-2-enyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione?
The canonical SMILES for 2-(2-methoxyphenyl)-7-prop-2-enyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione is C=CCN1CCN2C(=O)N(c3ccccc3OC)C(=O)C2C1.
What is the InChIKey of 2-(2-methoxyphenyl)-7-prop-2-enyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione?
The InChIKey is PVFTVCMVKWIGQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-3-8-17-9-10-18-13(11-17)15(20)19(16(18)21)12-6-4-5-7-14(12)22-2/h3-7,13H,1,8-11H2,2H3.
What are the key properties of 2-(2-methoxyphenyl)-7-prop-2-enyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione?
2-(2-methoxyphenyl)-7-prop-2-enyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione has a molecular weight of 301.35 g/mol, XLogP of 1.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-7-prop-2-enyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione is sourced from PubChem (CID 24734214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).