2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b][1,4]oxazine;1-methyl-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine

C14H28N4O — CID 67722841

IUPAC2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b][1,4]oxazine;1-methyl-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine
SMILESC1COC2CNCC2N1.CN1CCCC2CNCC21
InChIInChI=1S/C8H16N2.C6H12N2O/c1-10-4-2-3-7-5-9-6-8(7)10;1-2-9-6-4-7-3-5(6)8-1/h7-9H,2-6H2,1H3;5-8H,1-4H2
InChIKeyHZASZYIZJGSSLJ-UHFFFAOYSA-N
MW268.40 g/mol
LogP-0.75
Rot. Bonds

About 2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b][1,4]oxazine;1-methyl-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine

2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b][1,4]oxazine;1-methyl-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine (PubChem CID 67722841) has the molecular formula C14H28N4O and a molecular weight of 268.40 g/mol. Its IUPAC name is 2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b][1,4]oxazine;1-methyl-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine.

Molecular Properties

Compound Name2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b][1,4]oxazine;1-methyl-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine
PubChem CID67722841
Molecular FormulaC14H28N4O
Molecular Weight268.40 g/mol
Exact Mass268.23
IUPAC Name2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b][1,4]oxazine;1-methyl-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine
SMILESC1COC2CNCC2N1.CN1CCCC2CNCC21
InChIInChI=1S/C8H16N2.C6H12N2O/c1-10-4-2-3-7-5-9-6-8(7)10;1-2-9-6-4-7-3-5(6)8-1/h7-9H,2-6H2,1H3;5-8H,1-4H2
InChIKeyHZASZYIZJGSSLJ-UHFFFAOYSA-N
XLogP-0.75
TPSA48.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 5-0.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b][1,4]oxazine;1-methyl-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b][1,4]oxazine;1-methyl-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine?
The IUPAC name of 2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b][1,4]oxazine;1-methyl-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine (CID 67722841) is 2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b][1,4]oxazine;1-methyl-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine.
What is the SMILES notation for 2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b][1,4]oxazine;1-methyl-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine?
The canonical SMILES for 2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b][1,4]oxazine;1-methyl-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine is C1COC2CNCC2N1.CN1CCCC2CNCC21.
What is the InChIKey of 2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b][1,4]oxazine;1-methyl-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine?
The InChIKey is HZASZYIZJGSSLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2.C6H12N2O/c1-10-4-2-3-7-5-9-6-8(7)10;1-2-9-6-4-7-3-5(6)8-1/h7-9H,2-6H2,1H3;5-8H,1-4H2.
What are the key properties of 2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b][1,4]oxazine;1-methyl-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine?
2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b][1,4]oxazine;1-methyl-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine has a molecular weight of 268.40 g/mol, XLogP of -0.75, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b][1,4]oxazine;1-methyl-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine is sourced from PubChem (CID 67722841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).