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

C8H15NO2 — CID 67315688

IUPAC[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-1-yl]methanol
SMILESOCC1OCCN2CCC[C@@H]12
InChIInChI=1S/C8H15NO2/c10-6-8-7-2-1-3-9(7)4-5-11-8/h7-8,10H,1-6H2/t7-,8?/m0/s1
InChIKeyBDNCVSVQKSBSJA-JAMMHHFISA-N
MW157.21 g/mol
LogP-0.16
Rot. Bonds1

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

[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-1-yl]methanol (PubChem CID 67315688) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is [(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-1-yl]methanol.

Molecular Properties

Compound Name[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-1-yl]methanol
PubChem CID67315688
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-1-yl]methanol
SMILESOCC1OCCN2CCC[C@@H]12
InChIInChI=1S/C8H15NO2/c10-6-8-7-2-1-3-9(7)4-5-11-8/h7-8,10H,1-6H2/t7-,8?/m0/s1
InChIKeyBDNCVSVQKSBSJA-JAMMHHFISA-N
XLogP-0.16
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

Octahydroindolizine-1,2-diol
CID 4361605
Lentiginosine
CID 130407
(1S,2S,8aS)-Octahydroindolizine-1,2-diol
CID 442645
2-Epilentiginosine
CID 11084135
1-Deoxycastanospermine
CID 195154
(6r,7r,8s,8As)-6,7,8-trihydroxyindolizidine
CID 11159596
(6r,7r,8r,8As)-6,7,8-trihydroxyindolizidine
CID 13768165
1,2,3,5,6,7,8,8a-Octahydroindolizine-1,7,8-triol
CID 494798
(6S,7R,8S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizine-6,7,8-triol
CID 10012390
(1R,2R,8AS)-octahydroindolizine-1,2-diol
CID 11073680
(1S,2S,8AR)-octahydroindolizine-1,2-diol
CID 11084134
(6S,7S,8S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizine-6,7,8-triol
CID 11194609

Frequently Asked Questions

What is the IUPAC name of [(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-1-yl]methanol?
The IUPAC name of [(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-1-yl]methanol (CID 67315688) is [(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-1-yl]methanol.
What is the SMILES notation for [(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-1-yl]methanol?
The canonical SMILES for [(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-1-yl]methanol is OCC1OCCN2CCC[C@@H]12.
What is the InChIKey of [(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-1-yl]methanol?
The InChIKey is BDNCVSVQKSBSJA-JAMMHHFISA-N. The full InChI is InChI=1S/C8H15NO2/c10-6-8-7-2-1-3-9(7)4-5-11-8/h7-8,10H,1-6H2/t7-,8?/m0/s1.
What are the key properties of [(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-1-yl]methanol?
[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-1-yl]methanol has a molecular weight of 157.21 g/mol, XLogP of -0.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-1-yl]methanol is sourced from PubChem (CID 67315688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).