2,3,4,6,7,9,10,10a-octahydro-1H-pyrazino[1,2-d][1,4]oxazepine

C8H16N2O — CID 122552724

IUPAC2,3,4,6,7,9,10,10a-octahydro-1H-pyrazino[1,2-d][1,4]oxazepine
SMILESC1CN2CCOCCC2CN1
InChIInChI=1S/C8H16N2O/c1-5-11-6-4-10-3-2-9-7-8(1)10/h8-9H,1-7H2
InChIKeyABIUJEHMAZPLAP-UHFFFAOYSA-N
MW156.23 g/mol
LogP-0.32
Rot. Bonds

About 2,3,4,6,7,9,10,10a-octahydro-1H-pyrazino[1,2-d][1,4]oxazepine

2,3,4,6,7,9,10,10a-octahydro-1H-pyrazino[1,2-d][1,4]oxazepine (PubChem CID 122552724) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 2,3,4,6,7,9,10,10a-octahydro-1H-pyrazino[1,2-d][1,4]oxazepine.

Molecular Properties

Compound Name2,3,4,6,7,9,10,10a-octahydro-1H-pyrazino[1,2-d][1,4]oxazepine
PubChem CID122552724
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name2,3,4,6,7,9,10,10a-octahydro-1H-pyrazino[1,2-d][1,4]oxazepine
SMILESC1CN2CCOCCC2CN1
InChIInChI=1S/C8H16N2O/c1-5-11-6-4-10-3-2-9-7-8(1)10/h8-9H,1-7H2
InChIKeyABIUJEHMAZPLAP-UHFFFAOYSA-N
XLogP-0.32
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,6,7,9,10,10a-octahydro-1H-pyrazino[1,2-d][1,4]oxazepine?
The IUPAC name of 2,3,4,6,7,9,10,10a-octahydro-1H-pyrazino[1,2-d][1,4]oxazepine (CID 122552724) is 2,3,4,6,7,9,10,10a-octahydro-1H-pyrazino[1,2-d][1,4]oxazepine.
What is the SMILES notation for 2,3,4,6,7,9,10,10a-octahydro-1H-pyrazino[1,2-d][1,4]oxazepine?
The canonical SMILES for 2,3,4,6,7,9,10,10a-octahydro-1H-pyrazino[1,2-d][1,4]oxazepine is C1CN2CCOCCC2CN1.
What is the InChIKey of 2,3,4,6,7,9,10,10a-octahydro-1H-pyrazino[1,2-d][1,4]oxazepine?
The InChIKey is ABIUJEHMAZPLAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-5-11-6-4-10-3-2-9-7-8(1)10/h8-9H,1-7H2.
What are the key properties of 2,3,4,6,7,9,10,10a-octahydro-1H-pyrazino[1,2-d][1,4]oxazepine?
2,3,4,6,7,9,10,10a-octahydro-1H-pyrazino[1,2-d][1,4]oxazepine has a molecular weight of 156.23 g/mol, XLogP of -0.32, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,6,7,9,10,10a-octahydro-1H-pyrazino[1,2-d][1,4]oxazepine is sourced from PubChem (CID 122552724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).