1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-3-aminopropan-1-one

C11H20N2O2 — CID 60947366

IUPAC1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-3-aminopropan-1-one
SMILESNCCC(=O)N1CCOC2CCCCC21
InChIInChI=1S/C11H20N2O2/c12-6-5-11(14)13-7-8-15-10-4-2-1-3-9(10)13/h9-10H,1-8,12H2
InChIKeyOWYXHSINLPGTGQ-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.51
Rot. Bonds2

About 1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-3-aminopropan-1-one

1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-3-aminopropan-1-one (PubChem CID 60947366) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-3-aminopropan-1-one.

Molecular Properties

Compound Name1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-3-aminopropan-1-one
PubChem CID60947366
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-3-aminopropan-1-one
SMILESNCCC(=O)N1CCOC2CCCCC21
InChIInChI=1S/C11H20N2O2/c12-6-5-11(14)13-7-8-15-10-4-2-1-3-9(10)13/h9-10H,1-8,12H2
InChIKeyOWYXHSINLPGTGQ-UHFFFAOYSA-N
XLogP0.51
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-3-aminopropan-1-one?
The IUPAC name of 1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-3-aminopropan-1-one (CID 60947366) is 1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-3-aminopropan-1-one.
What is the SMILES notation for 1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-3-aminopropan-1-one?
The canonical SMILES for 1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-3-aminopropan-1-one is NCCC(=O)N1CCOC2CCCCC21.
What is the InChIKey of 1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-3-aminopropan-1-one?
The InChIKey is OWYXHSINLPGTGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c12-6-5-11(14)13-7-8-15-10-4-2-1-3-9(10)13/h9-10H,1-8,12H2.
What are the key properties of 1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-3-aminopropan-1-one?
1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-3-aminopropan-1-one has a molecular weight of 212.29 g/mol, XLogP of 0.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-3-aminopropan-1-one is sourced from PubChem (CID 60947366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).