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

C8H15NO2 — CID 45088535

IUPAC[(3S,8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl]methanol
SMILESOC[C@@H]1CN2CCC[C@H]2CO1
InChIInChI=1S/C8H15NO2/c10-5-8-4-9-3-1-2-7(9)6-11-8/h7-8,10H,1-6H2/t7-,8-/m0/s1
InChIKeySNDFBMZJYGYZDQ-YUMQZZPRSA-N
MW157.21 g/mol
LogP-0.16
Rot. Bonds1

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

[(3S,8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl]methanol (PubChem CID 45088535) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is [(3S,8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl]methanol.

Molecular Properties

Compound Name[(3S,8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl]methanol
PubChem CID45088535
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name[(3S,8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl]methanol
SMILESOC[C@@H]1CN2CCC[C@H]2CO1
InChIInChI=1S/C8H15NO2/c10-5-8-4-9-3-1-2-7(9)6-11-8/h7-8,10H,1-6H2/t7-,8-/m0/s1
InChIKeySNDFBMZJYGYZDQ-YUMQZZPRSA-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

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Frequently Asked Questions

What is the IUPAC name of [(3S,8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl]methanol?
The IUPAC name of [(3S,8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl]methanol (CID 45088535) is [(3S,8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl]methanol.
What is the SMILES notation for [(3S,8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl]methanol?
The canonical SMILES for [(3S,8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl]methanol is OC[C@@H]1CN2CCC[C@H]2CO1.
What is the InChIKey of [(3S,8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl]methanol?
The InChIKey is SNDFBMZJYGYZDQ-YUMQZZPRSA-N. The full InChI is InChI=1S/C8H15NO2/c10-5-8-4-9-3-1-2-7(9)6-11-8/h7-8,10H,1-6H2/t7-,8-/m0/s1.
What are the key properties of [(3S,8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl]methanol?
[(3S,8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-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 [(3S,8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl]methanol is sourced from PubChem (CID 45088535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).