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

C9H15NO2 — CID 146327482

IUPAC(2R)-2-ethyl-2-prop-2-enylmorpholin-3-one
SMILESC=CC[C@@]1(CC)OCCNC1=O
InChIInChI=1S/C9H15NO2/c1-3-5-9(4-2)8(11)10-6-7-12-9/h3H,1,4-7H2,2H3,(H,10,11)/t9-/m1/s1
InChIKeyZHXBKEKAPLDKNK-SECBINFHSA-N
MW169.22 g/mol
LogP0.86
Rot. Bonds3

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

(2R)-2-ethyl-2-prop-2-enylmorpholin-3-one (PubChem CID 146327482) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is (2R)-2-ethyl-2-prop-2-enylmorpholin-3-one.

Molecular Properties

Compound Name(2R)-2-ethyl-2-prop-2-enylmorpholin-3-one
PubChem CID146327482
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name(2R)-2-ethyl-2-prop-2-enylmorpholin-3-one
SMILESC=CC[C@@]1(CC)OCCNC1=O
InChIInChI=1S/C9H15NO2/c1-3-5-9(4-2)8(11)10-6-7-12-9/h3H,1,4-7H2,2H3,(H,10,11)/t9-/m1/s1
InChIKeyZHXBKEKAPLDKNK-SECBINFHSA-N
XLogP0.86
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-enylmorpholin-3-one?
The IUPAC name of (2R)-2-ethyl-2-prop-2-enylmorpholin-3-one (CID 146327482) is (2R)-2-ethyl-2-prop-2-enylmorpholin-3-one.
What is the SMILES notation for (2R)-2-ethyl-2-prop-2-enylmorpholin-3-one?
The canonical SMILES for (2R)-2-ethyl-2-prop-2-enylmorpholin-3-one is C=CC[C@@]1(CC)OCCNC1=O.
What is the InChIKey of (2R)-2-ethyl-2-prop-2-enylmorpholin-3-one?
The InChIKey is ZHXBKEKAPLDKNK-SECBINFHSA-N. The full InChI is InChI=1S/C9H15NO2/c1-3-5-9(4-2)8(11)10-6-7-12-9/h3H,1,4-7H2,2H3,(H,10,11)/t9-/m1/s1.
What are the key properties of (2R)-2-ethyl-2-prop-2-enylmorpholin-3-one?
(2R)-2-ethyl-2-prop-2-enylmorpholin-3-one has a molecular weight of 169.22 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-ethyl-2-prop-2-enylmorpholin-3-one is sourced from PubChem (CID 146327482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).