(4aS,7aS)-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b][1,4]oxazine

C6H12N2O — CID 15069982

IUPAC(4aS,7aS)-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b][1,4]oxazine
SMILESC1CO[C@H]2CNC[C@@H]2N1
InChIInChI=1S/C6H12N2O/c1-2-9-6-4-7-3-5(6)8-1/h5-8H,1-4H2/t5-,6-/m0/s1
InChIKeyUMIZTIYZNFUATK-WDSKDSINSA-N
MW128.18 g/mol
LogP-1.05
Rot. Bonds

About (4aS,7aS)-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b][1,4]oxazine

(4aS,7aS)-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b][1,4]oxazine (PubChem CID 15069982) has the molecular formula C6H12N2O and a molecular weight of 128.18 g/mol. Its IUPAC name is (4aS,7aS)-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b][1,4]oxazine.

Molecular Properties

Compound Name(4aS,7aS)-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b][1,4]oxazine
PubChem CID15069982
Molecular FormulaC6H12N2O
Molecular Weight128.18 g/mol
Exact Mass128.09
IUPAC Name(4aS,7aS)-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b][1,4]oxazine
SMILESC1CO[C@H]2CNC[C@@H]2N1
InChIInChI=1S/C6H12N2O/c1-2-9-6-4-7-3-5(6)8-1/h5-8H,1-4H2/t5-,6-/m0/s1
InChIKeyUMIZTIYZNFUATK-WDSKDSINSA-N
XLogP-1.05
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.18
LogP ≤ 5-1.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4aS,7aS)-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b][1,4]oxazine?
The IUPAC name of (4aS,7aS)-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b][1,4]oxazine (CID 15069982) is (4aS,7aS)-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b][1,4]oxazine.
What is the SMILES notation for (4aS,7aS)-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b][1,4]oxazine?
The canonical SMILES for (4aS,7aS)-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b][1,4]oxazine is C1CO[C@H]2CNC[C@@H]2N1.
What is the InChIKey of (4aS,7aS)-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b][1,4]oxazine?
The InChIKey is UMIZTIYZNFUATK-WDSKDSINSA-N. The full InChI is InChI=1S/C6H12N2O/c1-2-9-6-4-7-3-5(6)8-1/h5-8H,1-4H2/t5-,6-/m0/s1.
What are the key properties of (4aS,7aS)-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b][1,4]oxazine?
(4aS,7aS)-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b][1,4]oxazine has a molecular weight of 128.18 g/mol, XLogP of -1.05, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,7aS)-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b][1,4]oxazine is sourced from PubChem (CID 15069982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).