(2S,6R)-2,6-dimethyl-4-(oxiran-2-ylmethyl)morpholine

C9H17NO2 — CID 104958525

IUPAC(2S,6R)-2,6-dimethyl-4-(oxiran-2-ylmethyl)morpholine
SMILESC[C@@H]1CN(CC2CO2)C[C@H](C)O1
InChIInChI=1S/C9H17NO2/c1-7-3-10(4-8(2)12-7)5-9-6-11-9/h7-9H,3-6H2,1-2H3/t7-,8+,9?
InChIKeyXSNUGTDPHXUKCZ-JVHMLUBASA-N
MW171.24 g/mol
LogP0.49
Rot. Bonds2

About (2S,6R)-2,6-dimethyl-4-(oxiran-2-ylmethyl)morpholine

(2S,6R)-2,6-dimethyl-4-(oxiran-2-ylmethyl)morpholine (PubChem CID 104958525) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is (2S,6R)-2,6-dimethyl-4-(oxiran-2-ylmethyl)morpholine.

Molecular Properties

Compound Name(2S,6R)-2,6-dimethyl-4-(oxiran-2-ylmethyl)morpholine
PubChem CID104958525
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name(2S,6R)-2,6-dimethyl-4-(oxiran-2-ylmethyl)morpholine
SMILESC[C@@H]1CN(CC2CO2)C[C@H](C)O1
InChIInChI=1S/C9H17NO2/c1-7-3-10(4-8(2)12-7)5-9-6-11-9/h7-9H,3-6H2,1-2H3/t7-,8+,9?
InChIKeyXSNUGTDPHXUKCZ-JVHMLUBASA-N
XLogP0.49
TPSA25.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S,6R)-2,6-dimethyl-4-(oxiran-2-ylmethyl)morpholine?
The IUPAC name of (2S,6R)-2,6-dimethyl-4-(oxiran-2-ylmethyl)morpholine (CID 104958525) is (2S,6R)-2,6-dimethyl-4-(oxiran-2-ylmethyl)morpholine.
What is the SMILES notation for (2S,6R)-2,6-dimethyl-4-(oxiran-2-ylmethyl)morpholine?
The canonical SMILES for (2S,6R)-2,6-dimethyl-4-(oxiran-2-ylmethyl)morpholine is C[C@@H]1CN(CC2CO2)C[C@H](C)O1.
What is the InChIKey of (2S,6R)-2,6-dimethyl-4-(oxiran-2-ylmethyl)morpholine?
The InChIKey is XSNUGTDPHXUKCZ-JVHMLUBASA-N. The full InChI is InChI=1S/C9H17NO2/c1-7-3-10(4-8(2)12-7)5-9-6-11-9/h7-9H,3-6H2,1-2H3/t7-,8+,9?.
What are the key properties of (2S,6R)-2,6-dimethyl-4-(oxiran-2-ylmethyl)morpholine?
(2S,6R)-2,6-dimethyl-4-(oxiran-2-ylmethyl)morpholine has a molecular weight of 171.24 g/mol, XLogP of 0.49, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-2,6-dimethyl-4-(oxiran-2-ylmethyl)morpholine is sourced from PubChem (CID 104958525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).