(4aS,8aR)-4-propan-2-yl-2,3,4a,5,6,7,8,8a-octahydropyrido[4,3-b][1,4]oxazine

C10H20N2O — CID 166493348

IUPAC(4aS,8aR)-4-propan-2-yl-2,3,4a,5,6,7,8,8a-octahydropyrido[4,3-b][1,4]oxazine
SMILESCC(C)N1CCO[C@@H]2CCNC[C@@H]21
InChIInChI=1S/C10H20N2O/c1-8(2)12-5-6-13-10-3-4-11-7-9(10)12/h8-11H,3-7H2,1-2H3/t9-,10+/m0/s1
InChIKeyRVBLLFKWDZOHFD-VHSXEESVSA-N
MW184.28 g/mol
LogP0.46
Rot. Bonds1

About (4aS,8aR)-4-propan-2-yl-2,3,4a,5,6,7,8,8a-octahydropyrido[4,3-b][1,4]oxazine

(4aS,8aR)-4-propan-2-yl-2,3,4a,5,6,7,8,8a-octahydropyrido[4,3-b][1,4]oxazine (PubChem CID 166493348) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is (4aS,8aR)-4-propan-2-yl-2,3,4a,5,6,7,8,8a-octahydropyrido[4,3-b][1,4]oxazine.

Molecular Properties

Compound Name(4aS,8aR)-4-propan-2-yl-2,3,4a,5,6,7,8,8a-octahydropyrido[4,3-b][1,4]oxazine
PubChem CID166493348
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name(4aS,8aR)-4-propan-2-yl-2,3,4a,5,6,7,8,8a-octahydropyrido[4,3-b][1,4]oxazine
SMILESCC(C)N1CCO[C@@H]2CCNC[C@@H]21
InChIInChI=1S/C10H20N2O/c1-8(2)12-5-6-13-10-3-4-11-7-9(10)12/h8-11H,3-7H2,1-2H3/t9-,10+/m0/s1
InChIKeyRVBLLFKWDZOHFD-VHSXEESVSA-N
XLogP0.46
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4aS,8aR)-4-propan-2-yl-2,3,4a,5,6,7,8,8a-octahydropyrido[4,3-b][1,4]oxazine?
The IUPAC name of (4aS,8aR)-4-propan-2-yl-2,3,4a,5,6,7,8,8a-octahydropyrido[4,3-b][1,4]oxazine (CID 166493348) is (4aS,8aR)-4-propan-2-yl-2,3,4a,5,6,7,8,8a-octahydropyrido[4,3-b][1,4]oxazine.
What is the SMILES notation for (4aS,8aR)-4-propan-2-yl-2,3,4a,5,6,7,8,8a-octahydropyrido[4,3-b][1,4]oxazine?
The canonical SMILES for (4aS,8aR)-4-propan-2-yl-2,3,4a,5,6,7,8,8a-octahydropyrido[4,3-b][1,4]oxazine is CC(C)N1CCO[C@@H]2CCNC[C@@H]21.
What is the InChIKey of (4aS,8aR)-4-propan-2-yl-2,3,4a,5,6,7,8,8a-octahydropyrido[4,3-b][1,4]oxazine?
The InChIKey is RVBLLFKWDZOHFD-VHSXEESVSA-N. The full InChI is InChI=1S/C10H20N2O/c1-8(2)12-5-6-13-10-3-4-11-7-9(10)12/h8-11H,3-7H2,1-2H3/t9-,10+/m0/s1.
What are the key properties of (4aS,8aR)-4-propan-2-yl-2,3,4a,5,6,7,8,8a-octahydropyrido[4,3-b][1,4]oxazine?
(4aS,8aR)-4-propan-2-yl-2,3,4a,5,6,7,8,8a-octahydropyrido[4,3-b][1,4]oxazine has a molecular weight of 184.28 g/mol, XLogP of 0.46, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,8aR)-4-propan-2-yl-2,3,4a,5,6,7,8,8a-octahydropyrido[4,3-b][1,4]oxazine is sourced from PubChem (CID 166493348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).