(2R)-2-ethyl-2-prop-2-enylmorpholine;(2R)-2-ethyl-2-prop-2-enylmorpholin-3-one

C18H32N2O3 — CID 164993986

IUPAC(2R)-2-ethyl-2-prop-2-enylmorpholine;(2R)-2-ethyl-2-prop-2-enylmorpholin-3-one
SMILESC=CC[C@@]1(CC)OCCNC1=O.C=CC[C@]1(CC)CNCCO1
InChIInChI=1S/C9H15NO2.C9H17NO/c1-3-5-9(4-2)8(11)10-6-7-12-9;1-3-5-9(4-2)8-10-6-7-11-9/h3H,1,4-7H2,2H3,(H,10,11);3,10H,1,4-8H2,2H3/t2*9-/m11/s1
InChIKeyHGZCGSUOHOFREB-USJXWOKUSA-N
MW324.47 g/mol
LogP2.19
Rot. Bonds6

About (2R)-2-ethyl-2-prop-2-enylmorpholine;(2R)-2-ethyl-2-prop-2-enylmorpholin-3-one

(2R)-2-ethyl-2-prop-2-enylmorpholine;(2R)-2-ethyl-2-prop-2-enylmorpholin-3-one (PubChem CID 164993986) has the molecular formula C18H32N2O3 and a molecular weight of 324.47 g/mol. Its IUPAC name is (2R)-2-ethyl-2-prop-2-enylmorpholine;(2R)-2-ethyl-2-prop-2-enylmorpholin-3-one.

Molecular Properties

Compound Name(2R)-2-ethyl-2-prop-2-enylmorpholine;(2R)-2-ethyl-2-prop-2-enylmorpholin-3-one
PubChem CID164993986
Molecular FormulaC18H32N2O3
Molecular Weight324.47 g/mol
Exact Mass324.24
IUPAC Name(2R)-2-ethyl-2-prop-2-enylmorpholine;(2R)-2-ethyl-2-prop-2-enylmorpholin-3-one
SMILESC=CC[C@@]1(CC)OCCNC1=O.C=CC[C@]1(CC)CNCCO1
InChIInChI=1S/C9H15NO2.C9H17NO/c1-3-5-9(4-2)8(11)10-6-7-12-9;1-3-5-9(4-2)8-10-6-7-11-9/h3H,1,4-7H2,2H3,(H,10,11);3,10H,1,4-8H2,2H3/t2*9-/m11/s1
InChIKeyHGZCGSUOHOFREB-USJXWOKUSA-N
XLogP2.19
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-ethyl-2-prop-2-enylmorpholine;(2R)-2-ethyl-2-prop-2-enylmorpholin-3-one?
The IUPAC name of (2R)-2-ethyl-2-prop-2-enylmorpholine;(2R)-2-ethyl-2-prop-2-enylmorpholin-3-one (CID 164993986) is (2R)-2-ethyl-2-prop-2-enylmorpholine;(2R)-2-ethyl-2-prop-2-enylmorpholin-3-one.
What is the SMILES notation for (2R)-2-ethyl-2-prop-2-enylmorpholine;(2R)-2-ethyl-2-prop-2-enylmorpholin-3-one?
The canonical SMILES for (2R)-2-ethyl-2-prop-2-enylmorpholine;(2R)-2-ethyl-2-prop-2-enylmorpholin-3-one is C=CC[C@@]1(CC)OCCNC1=O.C=CC[C@]1(CC)CNCCO1.
What is the InChIKey of (2R)-2-ethyl-2-prop-2-enylmorpholine;(2R)-2-ethyl-2-prop-2-enylmorpholin-3-one?
The InChIKey is HGZCGSUOHOFREB-USJXWOKUSA-N. The full InChI is InChI=1S/C9H15NO2.C9H17NO/c1-3-5-9(4-2)8(11)10-6-7-12-9;1-3-5-9(4-2)8-10-6-7-11-9/h3H,1,4-7H2,2H3,(H,10,11);3,10H,1,4-8H2,2H3/t2*9-/m11/s1.
What are the key properties of (2R)-2-ethyl-2-prop-2-enylmorpholine;(2R)-2-ethyl-2-prop-2-enylmorpholin-3-one?
(2R)-2-ethyl-2-prop-2-enylmorpholine;(2R)-2-ethyl-2-prop-2-enylmorpholin-3-one has a molecular weight of 324.47 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-ethyl-2-prop-2-enylmorpholine;(2R)-2-ethyl-2-prop-2-enylmorpholin-3-one is sourced from PubChem (CID 164993986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).