(5R)-5-ethyl-3-methyl-5-nitro-1,3-oxazinane

C7H14N2O3 — CID 92858747

IUPAC(5R)-5-ethyl-3-methyl-5-nitro-1,3-oxazinane
SMILESCC[C@]1([N+](=O)[O-])COCN(C)C1
InChIInChI=1S/C7H14N2O3/c1-3-7(9(10)11)4-8(2)6-12-5-7/h3-6H2,1-2H3/t7-/m1/s1
InChIKeyJPROQTRMOAUEGA-SSDOTTSWSA-N
MW174.20 g/mol
LogP0.33
Rot. Bonds2

About (5R)-5-ethyl-3-methyl-5-nitro-1,3-oxazinane

(5R)-5-ethyl-3-methyl-5-nitro-1,3-oxazinane (PubChem CID 92858747) has the molecular formula C7H14N2O3 and a molecular weight of 174.20 g/mol. Its IUPAC name is (5R)-5-ethyl-3-methyl-5-nitro-1,3-oxazinane.

Molecular Properties

Compound Name(5R)-5-ethyl-3-methyl-5-nitro-1,3-oxazinane
PubChem CID92858747
Molecular FormulaC7H14N2O3
Molecular Weight174.20 g/mol
Exact Mass174.10
IUPAC Name(5R)-5-ethyl-3-methyl-5-nitro-1,3-oxazinane
SMILESCC[C@]1([N+](=O)[O-])COCN(C)C1
InChIInChI=1S/C7H14N2O3/c1-3-7(9(10)11)4-8(2)6-12-5-7/h3-6H2,1-2H3/t7-/m1/s1
InChIKeyJPROQTRMOAUEGA-SSDOTTSWSA-N
XLogP0.33
TPSA55.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-ethyl-3-methyl-5-nitro-1,3-oxazinane?
The IUPAC name of (5R)-5-ethyl-3-methyl-5-nitro-1,3-oxazinane (CID 92858747) is (5R)-5-ethyl-3-methyl-5-nitro-1,3-oxazinane.
What is the SMILES notation for (5R)-5-ethyl-3-methyl-5-nitro-1,3-oxazinane?
The canonical SMILES for (5R)-5-ethyl-3-methyl-5-nitro-1,3-oxazinane is CC[C@]1([N+](=O)[O-])COCN(C)C1.
What is the InChIKey of (5R)-5-ethyl-3-methyl-5-nitro-1,3-oxazinane?
The InChIKey is JPROQTRMOAUEGA-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H14N2O3/c1-3-7(9(10)11)4-8(2)6-12-5-7/h3-6H2,1-2H3/t7-/m1/s1.
What are the key properties of (5R)-5-ethyl-3-methyl-5-nitro-1,3-oxazinane?
(5R)-5-ethyl-3-methyl-5-nitro-1,3-oxazinane has a molecular weight of 174.20 g/mol, XLogP of 0.33, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-ethyl-3-methyl-5-nitro-1,3-oxazinane is sourced from PubChem (CID 92858747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).