(4R,8R,9aS)-4-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-8-ol

C9H17NO2 — CID 15681246

IUPAC(4R,8R,9aS)-4-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-8-ol
SMILESC[C@@H]1COC[C@@H]2C[C@H](O)CCN21
InChIInChI=1S/C9H17NO2/c1-7-5-12-6-8-4-9(11)2-3-10(7)8/h7-9,11H,2-6H2,1H3/t7-,8+,9-/m1/s1
InChIKeyXDONDDDHPOLBQH-HRDYMLBCSA-N
MW171.24 g/mol
LogP0.23
Rot. Bonds

About (4R,8R,9aS)-4-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-8-ol

(4R,8R,9aS)-4-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-8-ol (PubChem CID 15681246) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is (4R,8R,9aS)-4-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-8-ol.

Molecular Properties

Compound Name(4R,8R,9aS)-4-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-8-ol
PubChem CID15681246
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name(4R,8R,9aS)-4-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-8-ol
SMILESC[C@@H]1COC[C@@H]2C[C@H](O)CCN21
InChIInChI=1S/C9H17NO2/c1-7-5-12-6-8-4-9(11)2-3-10(7)8/h7-9,11H,2-6H2,1H3/t7-,8+,9-/m1/s1
InChIKeyXDONDDDHPOLBQH-HRDYMLBCSA-N
XLogP0.23
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R,8R,9aS)-4-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-8-ol?
The IUPAC name of (4R,8R,9aS)-4-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-8-ol (CID 15681246) is (4R,8R,9aS)-4-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-8-ol.
What is the SMILES notation for (4R,8R,9aS)-4-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-8-ol?
The canonical SMILES for (4R,8R,9aS)-4-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-8-ol is C[C@@H]1COC[C@@H]2C[C@H](O)CCN21.
What is the InChIKey of (4R,8R,9aS)-4-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-8-ol?
The InChIKey is XDONDDDHPOLBQH-HRDYMLBCSA-N. The full InChI is InChI=1S/C9H17NO2/c1-7-5-12-6-8-4-9(11)2-3-10(7)8/h7-9,11H,2-6H2,1H3/t7-,8+,9-/m1/s1.
What are the key properties of (4R,8R,9aS)-4-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-8-ol?
(4R,8R,9aS)-4-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-8-ol has a molecular weight of 171.24 g/mol, XLogP of 0.23, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,8R,9aS)-4-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-8-ol is sourced from PubChem (CID 15681246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).