(2S,6R)-6-ethyl-2-propan-2-ylmorpholin-3-one

C9H17NO2 — CID 170989504

IUPAC(2S,6R)-6-ethyl-2-propan-2-ylmorpholin-3-one
SMILESCC[C@@H]1CNC(=O)[C@H](C(C)C)O1
InChIInChI=1S/C9H17NO2/c1-4-7-5-10-9(11)8(12-7)6(2)3/h6-8H,4-5H2,1-3H3,(H,10,11)/t7-,8+/m1/s1
InChIKeyRPQCUUYYAQLTKH-SFYZADRCSA-N
MW171.24 g/mol
LogP0.94
Rot. Bonds2

About (2S,6R)-6-ethyl-2-propan-2-ylmorpholin-3-one

(2S,6R)-6-ethyl-2-propan-2-ylmorpholin-3-one (PubChem CID 170989504) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is (2S,6R)-6-ethyl-2-propan-2-ylmorpholin-3-one.

Molecular Properties

Compound Name(2S,6R)-6-ethyl-2-propan-2-ylmorpholin-3-one
PubChem CID170989504
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name(2S,6R)-6-ethyl-2-propan-2-ylmorpholin-3-one
SMILESCC[C@@H]1CNC(=O)[C@H](C(C)C)O1
InChIInChI=1S/C9H17NO2/c1-4-7-5-10-9(11)8(12-7)6(2)3/h6-8H,4-5H2,1-3H3,(H,10,11)/t7-,8+/m1/s1
InChIKeyRPQCUUYYAQLTKH-SFYZADRCSA-N
XLogP0.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,6R)-6-ethyl-2-propan-2-ylmorpholin-3-one?
The IUPAC name of (2S,6R)-6-ethyl-2-propan-2-ylmorpholin-3-one (CID 170989504) is (2S,6R)-6-ethyl-2-propan-2-ylmorpholin-3-one.
What is the SMILES notation for (2S,6R)-6-ethyl-2-propan-2-ylmorpholin-3-one?
The canonical SMILES for (2S,6R)-6-ethyl-2-propan-2-ylmorpholin-3-one is CC[C@@H]1CNC(=O)[C@H](C(C)C)O1.
What is the InChIKey of (2S,6R)-6-ethyl-2-propan-2-ylmorpholin-3-one?
The InChIKey is RPQCUUYYAQLTKH-SFYZADRCSA-N. The full InChI is InChI=1S/C9H17NO2/c1-4-7-5-10-9(11)8(12-7)6(2)3/h6-8H,4-5H2,1-3H3,(H,10,11)/t7-,8+/m1/s1.
What are the key properties of (2S,6R)-6-ethyl-2-propan-2-ylmorpholin-3-one?
(2S,6R)-6-ethyl-2-propan-2-ylmorpholin-3-one has a molecular weight of 171.24 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-6-ethyl-2-propan-2-ylmorpholin-3-one is sourced from PubChem (CID 170989504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).