(4aR,8aS)-6-propan-2-yl-1,2,3,4a,5,8a-hexahydropyrido[3,4-b][1,4]oxazine

C10H18N2O — CID 167135040

IUPAC(4aR,8aS)-6-propan-2-yl-1,2,3,4a,5,8a-hexahydropyrido[3,4-b][1,4]oxazine
SMILESCC(C)N1C=C[C@@H]2NCCO[C@@H]2C1
InChIInChI=1S/C10H18N2O/c1-8(2)12-5-3-9-10(7-12)13-6-4-11-9/h3,5,8-11H,4,6-7H2,1-2H3/t9-,10+/m0/s1
InChIKeyNHWOIYCCJPXEKZ-VHSXEESVSA-N
MW182.27 g/mol
LogP0.58
Rot. Bonds1

About (4aR,8aS)-6-propan-2-yl-1,2,3,4a,5,8a-hexahydropyrido[3,4-b][1,4]oxazine

(4aR,8aS)-6-propan-2-yl-1,2,3,4a,5,8a-hexahydropyrido[3,4-b][1,4]oxazine (PubChem CID 167135040) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is (4aR,8aS)-6-propan-2-yl-1,2,3,4a,5,8a-hexahydropyrido[3,4-b][1,4]oxazine.

Molecular Properties

Compound Name(4aR,8aS)-6-propan-2-yl-1,2,3,4a,5,8a-hexahydropyrido[3,4-b][1,4]oxazine
PubChem CID167135040
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name(4aR,8aS)-6-propan-2-yl-1,2,3,4a,5,8a-hexahydropyrido[3,4-b][1,4]oxazine
SMILESCC(C)N1C=C[C@@H]2NCCO[C@@H]2C1
InChIInChI=1S/C10H18N2O/c1-8(2)12-5-3-9-10(7-12)13-6-4-11-9/h3,5,8-11H,4,6-7H2,1-2H3/t9-,10+/m0/s1
InChIKeyNHWOIYCCJPXEKZ-VHSXEESVSA-N
XLogP0.58
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4aR,8aS)-6-propan-2-yl-1,2,3,4a,5,8a-hexahydropyrido[3,4-b][1,4]oxazine?
The IUPAC name of (4aR,8aS)-6-propan-2-yl-1,2,3,4a,5,8a-hexahydropyrido[3,4-b][1,4]oxazine (CID 167135040) is (4aR,8aS)-6-propan-2-yl-1,2,3,4a,5,8a-hexahydropyrido[3,4-b][1,4]oxazine.
What is the SMILES notation for (4aR,8aS)-6-propan-2-yl-1,2,3,4a,5,8a-hexahydropyrido[3,4-b][1,4]oxazine?
The canonical SMILES for (4aR,8aS)-6-propan-2-yl-1,2,3,4a,5,8a-hexahydropyrido[3,4-b][1,4]oxazine is CC(C)N1C=C[C@@H]2NCCO[C@@H]2C1.
What is the InChIKey of (4aR,8aS)-6-propan-2-yl-1,2,3,4a,5,8a-hexahydropyrido[3,4-b][1,4]oxazine?
The InChIKey is NHWOIYCCJPXEKZ-VHSXEESVSA-N. The full InChI is InChI=1S/C10H18N2O/c1-8(2)12-5-3-9-10(7-12)13-6-4-11-9/h3,5,8-11H,4,6-7H2,1-2H3/t9-,10+/m0/s1.
What are the key properties of (4aR,8aS)-6-propan-2-yl-1,2,3,4a,5,8a-hexahydropyrido[3,4-b][1,4]oxazine?
(4aR,8aS)-6-propan-2-yl-1,2,3,4a,5,8a-hexahydropyrido[3,4-b][1,4]oxazine has a molecular weight of 182.27 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 (4aR,8aS)-6-propan-2-yl-1,2,3,4a,5,8a-hexahydropyrido[3,4-b][1,4]oxazine is sourced from PubChem (CID 167135040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).