[(4S,5R,6S)-5,6-dimethyl-1,3-oxazinan-4-yl]-pyrrolidin-1-ylmethanone

C11H20N2O2 — CID 58703536

IUPAC[(4S,5R,6S)-5,6-dimethyl-1,3-oxazinan-4-yl]-pyrrolidin-1-ylmethanone
SMILESC[C@H]1[C@H](C)OCN[C@@H]1C(=O)N1CCCC1
InChIInChI=1S/C11H20N2O2/c1-8-9(2)15-7-12-10(8)11(14)13-5-3-4-6-13/h8-10,12H,3-7H2,1-2H3/t8-,9-,10-/m0/s1
InChIKeyFWUNUJSKYCOFQJ-GUBZILKMSA-N
MW212.29 g/mol
LogP0.58
Rot. Bonds1

About [(4S,5R,6S)-5,6-dimethyl-1,3-oxazinan-4-yl]-pyrrolidin-1-ylmethanone

[(4S,5R,6S)-5,6-dimethyl-1,3-oxazinan-4-yl]-pyrrolidin-1-ylmethanone (PubChem CID 58703536) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is [(4S,5R,6S)-5,6-dimethyl-1,3-oxazinan-4-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[(4S,5R,6S)-5,6-dimethyl-1,3-oxazinan-4-yl]-pyrrolidin-1-ylmethanone
PubChem CID58703536
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name[(4S,5R,6S)-5,6-dimethyl-1,3-oxazinan-4-yl]-pyrrolidin-1-ylmethanone
SMILESC[C@H]1[C@H](C)OCN[C@@H]1C(=O)N1CCCC1
InChIInChI=1S/C11H20N2O2/c1-8-9(2)15-7-12-10(8)11(14)13-5-3-4-6-13/h8-10,12H,3-7H2,1-2H3/t8-,9-,10-/m0/s1
InChIKeyFWUNUJSKYCOFQJ-GUBZILKMSA-N
XLogP0.58
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(4S,5R,6S)-5,6-dimethyl-1,3-oxazinan-4-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [(4S,5R,6S)-5,6-dimethyl-1,3-oxazinan-4-yl]-pyrrolidin-1-ylmethanone (CID 58703536) is [(4S,5R,6S)-5,6-dimethyl-1,3-oxazinan-4-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [(4S,5R,6S)-5,6-dimethyl-1,3-oxazinan-4-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [(4S,5R,6S)-5,6-dimethyl-1,3-oxazinan-4-yl]-pyrrolidin-1-ylmethanone is C[C@H]1[C@H](C)OCN[C@@H]1C(=O)N1CCCC1.
What is the InChIKey of [(4S,5R,6S)-5,6-dimethyl-1,3-oxazinan-4-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is FWUNUJSKYCOFQJ-GUBZILKMSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-8-9(2)15-7-12-10(8)11(14)13-5-3-4-6-13/h8-10,12H,3-7H2,1-2H3/t8-,9-,10-/m0/s1.
What are the key properties of [(4S,5R,6S)-5,6-dimethyl-1,3-oxazinan-4-yl]-pyrrolidin-1-ylmethanone?
[(4S,5R,6S)-5,6-dimethyl-1,3-oxazinan-4-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 212.29 g/mol, XLogP of 0.58, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S,5R,6S)-5,6-dimethyl-1,3-oxazinan-4-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 58703536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).