(2S)-2,4-dimethyl-2-prop-2-enylmorpholin-3-one

C9H15NO2 — CID 155131475

IUPAC(2S)-2,4-dimethyl-2-prop-2-enylmorpholin-3-one
SMILESC=CC[C@]1(C)OCCN(C)C1=O
InChIInChI=1S/C9H15NO2/c1-4-5-9(2)8(11)10(3)6-7-12-9/h4H,1,5-7H2,2-3H3/t9-/m0/s1
InChIKeyWKXUXXSSSGNLFD-VIFPVBQESA-N
MW169.22 g/mol
LogP0.81
Rot. Bonds2

About (2S)-2,4-dimethyl-2-prop-2-enylmorpholin-3-one

(2S)-2,4-dimethyl-2-prop-2-enylmorpholin-3-one (PubChem CID 155131475) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is (2S)-2,4-dimethyl-2-prop-2-enylmorpholin-3-one.

Molecular Properties

Compound Name(2S)-2,4-dimethyl-2-prop-2-enylmorpholin-3-one
PubChem CID155131475
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name(2S)-2,4-dimethyl-2-prop-2-enylmorpholin-3-one
SMILESC=CC[C@]1(C)OCCN(C)C1=O
InChIInChI=1S/C9H15NO2/c1-4-5-9(2)8(11)10(3)6-7-12-9/h4H,1,5-7H2,2-3H3/t9-/m0/s1
InChIKeyWKXUXXSSSGNLFD-VIFPVBQESA-N
XLogP0.81
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.81
H-Bond Donors ≤ 50
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 (2S)-2,4-dimethyl-2-prop-2-enylmorpholin-3-one?
The IUPAC name of (2S)-2,4-dimethyl-2-prop-2-enylmorpholin-3-one (CID 155131475) is (2S)-2,4-dimethyl-2-prop-2-enylmorpholin-3-one.
What is the SMILES notation for (2S)-2,4-dimethyl-2-prop-2-enylmorpholin-3-one?
The canonical SMILES for (2S)-2,4-dimethyl-2-prop-2-enylmorpholin-3-one is C=CC[C@]1(C)OCCN(C)C1=O.
What is the InChIKey of (2S)-2,4-dimethyl-2-prop-2-enylmorpholin-3-one?
The InChIKey is WKXUXXSSSGNLFD-VIFPVBQESA-N. The full InChI is InChI=1S/C9H15NO2/c1-4-5-9(2)8(11)10(3)6-7-12-9/h4H,1,5-7H2,2-3H3/t9-/m0/s1.
What are the key properties of (2S)-2,4-dimethyl-2-prop-2-enylmorpholin-3-one?
(2S)-2,4-dimethyl-2-prop-2-enylmorpholin-3-one has a molecular weight of 169.22 g/mol, XLogP of 0.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,4-dimethyl-2-prop-2-enylmorpholin-3-one is sourced from PubChem (CID 155131475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).