[(4aR,8aR)-4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(oxolan-3-yl)methanone

C13H22N2O3 — CID 133137430

IUPAC[(4aR,8aR)-4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(oxolan-3-yl)methanone
SMILESCN1CCO[C@@H]2CCN(C(=O)C3CCOC3)C[C@H]21
InChIInChI=1S/C13H22N2O3/c1-14-5-7-18-12-2-4-15(8-11(12)14)13(16)10-3-6-17-9-10/h10-12H,2-9H2,1H3/t10?,11-,12-/m1/s1
InChIKeyLLJQDUITQPOKLM-PQDIPPBSSA-N
MW254.33 g/mol
LogP-0.05
Rot. Bonds1

About [(4aR,8aR)-4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(oxolan-3-yl)methanone

[(4aR,8aR)-4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(oxolan-3-yl)methanone (PubChem CID 133137430) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is [(4aR,8aR)-4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(oxolan-3-yl)methanone.

Molecular Properties

Compound Name[(4aR,8aR)-4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(oxolan-3-yl)methanone
PubChem CID133137430
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name[(4aR,8aR)-4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(oxolan-3-yl)methanone
SMILESCN1CCO[C@@H]2CCN(C(=O)C3CCOC3)C[C@H]21
InChIInChI=1S/C13H22N2O3/c1-14-5-7-18-12-2-4-15(8-11(12)14)13(16)10-3-6-17-9-10/h10-12H,2-9H2,1H3/t10?,11-,12-/m1/s1
InChIKeyLLJQDUITQPOKLM-PQDIPPBSSA-N
XLogP-0.05
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 5-0.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(4aR,8aR)-4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(oxolan-3-yl)methanone with MolForge

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Related Compounds

1-[3-[(4aR,8aR)-4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazine-6-carbonyl]azetidin-1-yl]ethanone
CID 129491378
[(4aS,8aS)-4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(4-methylcyclohexyl)methanone
CID 155869695
[(4aS,8aS)-4-(2-methoxyethyl)-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(oxan-4-yl)methanone
CID 98896809
[(3S)-3-hydroxypyrrolidin-1-yl]-[(3S)-oxolan-3-yl]methanone
CID 129368566
[(3S)-3-hydroxypyrrolidin-1-yl]-[(3R)-oxolan-3-yl]methanone
CID 129368564
(3R)-1-[(3R)-oxolane-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 94917604
[(3R)-3-(methylamino)pyrrolidin-1-yl]-(oxolan-3-yl)methanone;hydrochloride
CID 172646277
(4-chloro-3-methylpiperidin-1-yl)-(oxolan-3-yl)methanone
CID 114683166
[(4aR,8aR)-4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(1-methylpyrazol-3-yl)methanone
CID 124813293
[3-(bromomethyl)pyrrolidin-1-yl]-(oxolan-3-yl)methanone
CID 80666825
[3-(2-hydroxyethyl)pyrrolidin-1-yl]-(oxolan-3-yl)methanone
CID 115746294
[(2S)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-[(3R)-oxolan-3-yl]methanone
CID 95294899

Frequently Asked Questions

What is the IUPAC name of [(4aR,8aR)-4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(oxolan-3-yl)methanone?
The IUPAC name of [(4aR,8aR)-4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(oxolan-3-yl)methanone (CID 133137430) is [(4aR,8aR)-4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(oxolan-3-yl)methanone.
What is the SMILES notation for [(4aR,8aR)-4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(oxolan-3-yl)methanone?
The canonical SMILES for [(4aR,8aR)-4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(oxolan-3-yl)methanone is CN1CCO[C@@H]2CCN(C(=O)C3CCOC3)C[C@H]21.
What is the InChIKey of [(4aR,8aR)-4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(oxolan-3-yl)methanone?
The InChIKey is LLJQDUITQPOKLM-PQDIPPBSSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-14-5-7-18-12-2-4-15(8-11(12)14)13(16)10-3-6-17-9-10/h10-12H,2-9H2,1H3/t10?,11-,12-/m1/s1.
What are the key properties of [(4aR,8aR)-4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(oxolan-3-yl)methanone?
[(4aR,8aR)-4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(oxolan-3-yl)methanone has a molecular weight of 254.33 g/mol, XLogP of -0.05, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4aR,8aR)-4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(oxolan-3-yl)methanone is sourced from PubChem (CID 133137430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).