(2R,4aR,8aS)-2-methyl-2,3,4,4a,5,7,8,8a-octahydropyrano[4,3-b][1,4]oxazine

C8H15NO2 — CID 93219310

IUPAC(2R,4aR,8aS)-2-methyl-2,3,4,4a,5,7,8,8a-octahydropyrano[4,3-b][1,4]oxazine
SMILESC[C@@H]1CN[C@@H]2COCC[C@@H]2O1
InChIInChI=1S/C8H15NO2/c1-6-4-9-7-5-10-3-2-8(7)11-6/h6-9H,2-5H2,1H3/t6-,7-,8+/m1/s1
InChIKeyPASSMWGQKXTUJS-PRJMDXOYSA-N
MW157.21 g/mol
LogP0.15
Rot. Bonds

About (2R,4aR,8aS)-2-methyl-2,3,4,4a,5,7,8,8a-octahydropyrano[4,3-b][1,4]oxazine

(2R,4aR,8aS)-2-methyl-2,3,4,4a,5,7,8,8a-octahydropyrano[4,3-b][1,4]oxazine (PubChem CID 93219310) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is (2R,4aR,8aS)-2-methyl-2,3,4,4a,5,7,8,8a-octahydropyrano[4,3-b][1,4]oxazine.

Molecular Properties

Compound Name(2R,4aR,8aS)-2-methyl-2,3,4,4a,5,7,8,8a-octahydropyrano[4,3-b][1,4]oxazine
PubChem CID93219310
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name(2R,4aR,8aS)-2-methyl-2,3,4,4a,5,7,8,8a-octahydropyrano[4,3-b][1,4]oxazine
SMILESC[C@@H]1CN[C@@H]2COCC[C@@H]2O1
InChIInChI=1S/C8H15NO2/c1-6-4-9-7-5-10-3-2-8(7)11-6/h6-9H,2-5H2,1H3/t6-,7-,8+/m1/s1
InChIKeyPASSMWGQKXTUJS-PRJMDXOYSA-N
XLogP0.15
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R,4aR,8aS)-2-methyl-2,3,4,4a,5,7,8,8a-octahydropyrano[4,3-b][1,4]oxazine with MolForge

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Related Compounds

(2R,4aS,8aS)-2-methyl-2,3,4,4a,5,7,8,8a-octahydropyrano[4,3-b][1,4]oxazine
CID 93219314
3,4,5,5a,6,8,9,9a-octahydro-2H-pyrano[4,3-b][1,4]oxazepine
CID 43608951
2-methyl-3,4,4a,5,7,7a-hexahydro-2H-thieno[3,4-b][1,4]oxazine 6,6-dioxide
CID 60885517
3-methyl-5-(5-methyloxolan-2-yl)morpholine
CID 130533427
2,2-diethyl-4,4a,5,7,8,8a-hexahydro-3H-pyrano[4,3-b][1,4]oxazine
CID 65102498
2-ethyl-2-methyl-4,4a,5,7,8,8a-hexahydro-3H-pyrano[4,3-b][1,4]oxazine
CID 65102215
5,9-dioxa-2-azabicyclo[6.2.0]decane
CID 122672123
(1R,6R)-3-oxa-7-azabicyclo[4.1.0]heptane
CID 55298686
3,3-dimethyl-4,4a,5,7,8,8a-hexahydro-2H-pyrano[4,3-b][1,4]oxazine
CID 43608947
(3S)-3-methyloxolane
CID 7857636
(2S,6R)-2-cyclopropyl-6-methylmorpholine
CID 92547273
1,2,3,3a,4,5,7,7a-octahydropyrano[3,4-b]pyrrole
CID 68902591

Frequently Asked Questions

What is the IUPAC name of (2R,4aR,8aS)-2-methyl-2,3,4,4a,5,7,8,8a-octahydropyrano[4,3-b][1,4]oxazine?
The IUPAC name of (2R,4aR,8aS)-2-methyl-2,3,4,4a,5,7,8,8a-octahydropyrano[4,3-b][1,4]oxazine (CID 93219310) is (2R,4aR,8aS)-2-methyl-2,3,4,4a,5,7,8,8a-octahydropyrano[4,3-b][1,4]oxazine.
What is the SMILES notation for (2R,4aR,8aS)-2-methyl-2,3,4,4a,5,7,8,8a-octahydropyrano[4,3-b][1,4]oxazine?
The canonical SMILES for (2R,4aR,8aS)-2-methyl-2,3,4,4a,5,7,8,8a-octahydropyrano[4,3-b][1,4]oxazine is C[C@@H]1CN[C@@H]2COCC[C@@H]2O1.
What is the InChIKey of (2R,4aR,8aS)-2-methyl-2,3,4,4a,5,7,8,8a-octahydropyrano[4,3-b][1,4]oxazine?
The InChIKey is PASSMWGQKXTUJS-PRJMDXOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-6-4-9-7-5-10-3-2-8(7)11-6/h6-9H,2-5H2,1H3/t6-,7-,8+/m1/s1.
What are the key properties of (2R,4aR,8aS)-2-methyl-2,3,4,4a,5,7,8,8a-octahydropyrano[4,3-b][1,4]oxazine?
(2R,4aR,8aS)-2-methyl-2,3,4,4a,5,7,8,8a-octahydropyrano[4,3-b][1,4]oxazine has a molecular weight of 157.21 g/mol, XLogP of 0.15, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4aR,8aS)-2-methyl-2,3,4,4a,5,7,8,8a-octahydropyrano[4,3-b][1,4]oxazine is sourced from PubChem (CID 93219310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).