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

C11H18N2O2 — CID 18338735

IUPAC2-ethyl-4,7,8,9,10,10a-hexahydro-3H-pyrazino[1,2-a]azepine-1,6-dione
SMILESCCN1CCN2C(=O)CCCCC2C1=O
InChIInChI=1S/C11H18N2O2/c1-2-12-7-8-13-9(11(12)15)5-3-4-6-10(13)14/h9H,2-8H2,1H3
InChIKeyLBXLXKUGNQAYMM-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.62
Rot. Bonds1

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

2-ethyl-4,7,8,9,10,10a-hexahydro-3H-pyrazino[1,2-a]azepine-1,6-dione (PubChem CID 18338735) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 2-ethyl-4,7,8,9,10,10a-hexahydro-3H-pyrazino[1,2-a]azepine-1,6-dione.

Molecular Properties

Compound Name2-ethyl-4,7,8,9,10,10a-hexahydro-3H-pyrazino[1,2-a]azepine-1,6-dione
PubChem CID18338735
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name2-ethyl-4,7,8,9,10,10a-hexahydro-3H-pyrazino[1,2-a]azepine-1,6-dione
SMILESCCN1CCN2C(=O)CCCCC2C1=O
InChIInChI=1S/C11H18N2O2/c1-2-12-7-8-13-9(11(12)15)5-3-4-6-10(13)14/h9H,2-8H2,1H3
InChIKeyLBXLXKUGNQAYMM-UHFFFAOYSA-N
XLogP0.62
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4,7,8,9,10,10a-hexahydro-3H-pyrazino[1,2-a]azepine-1,6-dione?
The IUPAC name of 2-ethyl-4,7,8,9,10,10a-hexahydro-3H-pyrazino[1,2-a]azepine-1,6-dione (CID 18338735) is 2-ethyl-4,7,8,9,10,10a-hexahydro-3H-pyrazino[1,2-a]azepine-1,6-dione.
What is the SMILES notation for 2-ethyl-4,7,8,9,10,10a-hexahydro-3H-pyrazino[1,2-a]azepine-1,6-dione?
The canonical SMILES for 2-ethyl-4,7,8,9,10,10a-hexahydro-3H-pyrazino[1,2-a]azepine-1,6-dione is CCN1CCN2C(=O)CCCCC2C1=O.
What is the InChIKey of 2-ethyl-4,7,8,9,10,10a-hexahydro-3H-pyrazino[1,2-a]azepine-1,6-dione?
The InChIKey is LBXLXKUGNQAYMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-2-12-7-8-13-9(11(12)15)5-3-4-6-10(13)14/h9H,2-8H2,1H3.
What are the key properties of 2-ethyl-4,7,8,9,10,10a-hexahydro-3H-pyrazino[1,2-a]azepine-1,6-dione?
2-ethyl-4,7,8,9,10,10a-hexahydro-3H-pyrazino[1,2-a]azepine-1,6-dione has a molecular weight of 210.28 g/mol, XLogP of 0.62, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4,7,8,9,10,10a-hexahydro-3H-pyrazino[1,2-a]azepine-1,6-dione is sourced from PubChem (CID 18338735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).