2-methyl-4,7,8,9,10,10a-hexahydro-3H-pyrazino[1,2-a]azepine-1,6-dione

C10H16N2O2 — CID 18338738

IUPAC2-methyl-4,7,8,9,10,10a-hexahydro-3H-pyrazino[1,2-a]azepine-1,6-dione
SMILESCN1CCN2C(=O)CCCCC2C1=O
InChIInChI=1S/C10H16N2O2/c1-11-6-7-12-8(10(11)14)4-2-3-5-9(12)13/h8H,2-7H2,1H3
InChIKeyLSBXDMVWBDRWRK-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.23
Rot. Bonds

About 2-methyl-4,7,8,9,10,10a-hexahydro-3H-pyrazino[1,2-a]azepine-1,6-dione

2-methyl-4,7,8,9,10,10a-hexahydro-3H-pyrazino[1,2-a]azepine-1,6-dione (PubChem CID 18338738) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-methyl-4,7,8,9,10,10a-hexahydro-3H-pyrazino[1,2-a]azepine-1,6-dione.

Molecular Properties

Compound Name2-methyl-4,7,8,9,10,10a-hexahydro-3H-pyrazino[1,2-a]azepine-1,6-dione
PubChem CID18338738
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name2-methyl-4,7,8,9,10,10a-hexahydro-3H-pyrazino[1,2-a]azepine-1,6-dione
SMILESCN1CCN2C(=O)CCCCC2C1=O
InChIInChI=1S/C10H16N2O2/c1-11-6-7-12-8(10(11)14)4-2-3-5-9(12)13/h8H,2-7H2,1H3
InChIKeyLSBXDMVWBDRWRK-UHFFFAOYSA-N
XLogP0.23
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-methyl-4,7,8,9,10,10a-hexahydro-3H-pyrazino[1,2-a]azepine-1,6-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-methyl-4,7,8,9,10,10a-hexahydro-3H-pyrazino[1,2-a]azepine-1,6-dione?
The IUPAC name of 2-methyl-4,7,8,9,10,10a-hexahydro-3H-pyrazino[1,2-a]azepine-1,6-dione (CID 18338738) is 2-methyl-4,7,8,9,10,10a-hexahydro-3H-pyrazino[1,2-a]azepine-1,6-dione.
What is the SMILES notation for 2-methyl-4,7,8,9,10,10a-hexahydro-3H-pyrazino[1,2-a]azepine-1,6-dione?
The canonical SMILES for 2-methyl-4,7,8,9,10,10a-hexahydro-3H-pyrazino[1,2-a]azepine-1,6-dione is CN1CCN2C(=O)CCCCC2C1=O.
What is the InChIKey of 2-methyl-4,7,8,9,10,10a-hexahydro-3H-pyrazino[1,2-a]azepine-1,6-dione?
The InChIKey is LSBXDMVWBDRWRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-11-6-7-12-8(10(11)14)4-2-3-5-9(12)13/h8H,2-7H2,1H3.
What are the key properties of 2-methyl-4,7,8,9,10,10a-hexahydro-3H-pyrazino[1,2-a]azepine-1,6-dione?
2-methyl-4,7,8,9,10,10a-hexahydro-3H-pyrazino[1,2-a]azepine-1,6-dione has a molecular weight of 196.25 g/mol, XLogP of 0.23, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4,7,8,9,10,10a-hexahydro-3H-pyrazino[1,2-a]azepine-1,6-dione is sourced from PubChem (CID 18338738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).