[(6R)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-6-yl]methanol;ethane

C12H27NO2 — CID 177330814

IUPAC[(6R)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-6-yl]methanol;ethane
SMILESCC.CC.OC[C@H]1CCC2COCCN21
InChIInChI=1S/C8H15NO2.2C2H6/c10-5-7-1-2-8-6-11-4-3-9(7)8;2*1-2/h7-8,10H,1-6H2;2*1-2H3/t7-,8?;;/m1../s1
InChIKeyPXBHJOBAHVRIAY-HMOXCYTFSA-N
MW217.35 g/mol
LogP1.89
Rot. Bonds1

About [(6R)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-6-yl]methanol;ethane

[(6R)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-6-yl]methanol;ethane (PubChem CID 177330814) has the molecular formula C12H27NO2 and a molecular weight of 217.35 g/mol. Its IUPAC name is [(6R)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-6-yl]methanol;ethane.

Molecular Properties

Compound Name[(6R)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-6-yl]methanol;ethane
PubChem CID177330814
Molecular FormulaC12H27NO2
Molecular Weight217.35 g/mol
Exact Mass217.20
IUPAC Name[(6R)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-6-yl]methanol;ethane
SMILESCC.CC.OC[C@H]1CCC2COCCN21
InChIInChI=1S/C8H15NO2.2C2H6/c10-5-7-1-2-8-6-11-4-3-9(7)8;2*1-2/h7-8,10H,1-6H2;2*1-2H3/t7-,8?;;/m1../s1
InChIKeyPXBHJOBAHVRIAY-HMOXCYTFSA-N
XLogP1.89
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.35
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(6R)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-6-yl]methanol;ethane with MolForge

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Related Compounds

3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-6-ylmethoxyphosphane
CID 170768487
(6S,8aS)-6-(propan-2-yloxymethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine
CID 177010102
1-azabicyclo[3.2.0]heptan-2-ylmethanol
CID 105427328
ethane;3-ethyl-4-(oxetan-3-yl)morpholine
CID 177200740
[4-[3-(aminomethyl)cyclopentyl]morpholin-3-yl]methanol
CID 112710385
(4-pyrrolidin-3-ylmorpholin-3-yl)methanol
CID 82405761
[(3R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]methanol
CID 169000645
[(3S)-4-methylmorpholin-3-yl]methanol
CID 58666450
6,8-dimethyl-3,4,6,7,8,9,10,10a-octahydro-1H-[1,4]oxazino[4,3-a]azepine
CID 156794987
[1-(oxan-4-yl)piperidin-2-yl]methanol
CID 63937117
[4-(sulfanylmethyl)morpholin-3-yl]methanol
CID 139499999
[(6S,8aS)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-6-yl]methanol
CID 131114768

Frequently Asked Questions

What is the IUPAC name of [(6R)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-6-yl]methanol;ethane?
The IUPAC name of [(6R)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-6-yl]methanol;ethane (CID 177330814) is [(6R)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-6-yl]methanol;ethane.
What is the SMILES notation for [(6R)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-6-yl]methanol;ethane?
The canonical SMILES for [(6R)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-6-yl]methanol;ethane is CC.CC.OC[C@H]1CCC2COCCN21.
What is the InChIKey of [(6R)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-6-yl]methanol;ethane?
The InChIKey is PXBHJOBAHVRIAY-HMOXCYTFSA-N. The full InChI is InChI=1S/C8H15NO2.2C2H6/c10-5-7-1-2-8-6-11-4-3-9(7)8;2*1-2/h7-8,10H,1-6H2;2*1-2H3/t7-,8?;;/m1../s1.
What are the key properties of [(6R)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-6-yl]methanol;ethane?
[(6R)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-6-yl]methanol;ethane has a molecular weight of 217.35 g/mol, XLogP of 1.89, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(6R)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-6-yl]methanol;ethane is sourced from PubChem (CID 177330814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).