2-(2-phenylcyclopropyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione

C17H20N2O2 — CID 79914120

IUPAC2-(2-phenylcyclopropyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
SMILESO=C1CN(C2CC2c2ccccc2)C(=O)C2CCCCN12
InChIInChI=1S/C17H20N2O2/c20-16-11-19(17(21)14-8-4-5-9-18(14)16)15-10-13(15)12-6-2-1-3-7-12/h1-3,6-7,13-15H,4-5,8-11H2
InChIKeyZQQFYGYMHKRLMA-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.77
Rot. Bonds2

About 2-(2-phenylcyclopropyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione

2-(2-phenylcyclopropyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione (PubChem CID 79914120) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-(2-phenylcyclopropyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione.

Molecular Properties

Compound Name2-(2-phenylcyclopropyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
PubChem CID79914120
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name2-(2-phenylcyclopropyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
SMILESO=C1CN(C2CC2c2ccccc2)C(=O)C2CCCCN12
InChIInChI=1S/C17H20N2O2/c20-16-11-19(17(21)14-8-4-5-9-18(14)16)15-10-13(15)12-6-2-1-3-7-12/h1-3,6-7,13-15H,4-5,8-11H2
InChIKeyZQQFYGYMHKRLMA-UHFFFAOYSA-N
XLogP1.77
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(2-phenylcyclopropyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-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-phenylcyclopropyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione?
The IUPAC name of 2-(2-phenylcyclopropyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione (CID 79914120) is 2-(2-phenylcyclopropyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione.
What is the SMILES notation for 2-(2-phenylcyclopropyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione?
The canonical SMILES for 2-(2-phenylcyclopropyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione is O=C1CN(C2CC2c2ccccc2)C(=O)C2CCCCN12.
What is the InChIKey of 2-(2-phenylcyclopropyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione?
The InChIKey is ZQQFYGYMHKRLMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c20-16-11-19(17(21)14-8-4-5-9-18(14)16)15-10-13(15)12-6-2-1-3-7-12/h1-3,6-7,13-15H,4-5,8-11H2.
What are the key properties of 2-(2-phenylcyclopropyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione?
2-(2-phenylcyclopropyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione has a molecular weight of 284.36 g/mol, XLogP of 1.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylcyclopropyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione is sourced from PubChem (CID 79914120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).