(E)-1-[2-(methoxymethyl)morpholin-4-yl]-4,4-dimethylpent-2-en-1-one

C13H23NO3 — CID 21060141

IUPAC(E)-1-[2-(methoxymethyl)morpholin-4-yl]-4,4-dimethylpent-2-en-1-one
SMILESCOCC1CN(C(=O)/C=C/C(C)(C)C)CCO1
InChIInChI=1S/C13H23NO3/c1-13(2,3)6-5-12(15)14-7-8-17-11(9-14)10-16-4/h5-6,11H,7-10H2,1-4H3/b6-5+
InChIKeyWCEPLPVOGONCMJ-AATRIKPKSA-N
MW241.33 g/mol
LogP1.46
Rot. Bonds3

About (E)-1-[2-(methoxymethyl)morpholin-4-yl]-4,4-dimethylpent-2-en-1-one

(E)-1-[2-(methoxymethyl)morpholin-4-yl]-4,4-dimethylpent-2-en-1-one (PubChem CID 21060141) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is (E)-1-[2-(methoxymethyl)morpholin-4-yl]-4,4-dimethylpent-2-en-1-one.

Molecular Properties

Compound Name(E)-1-[2-(methoxymethyl)morpholin-4-yl]-4,4-dimethylpent-2-en-1-one
PubChem CID21060141
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name(E)-1-[2-(methoxymethyl)morpholin-4-yl]-4,4-dimethylpent-2-en-1-one
SMILESCOCC1CN(C(=O)/C=C/C(C)(C)C)CCO1
InChIInChI=1S/C13H23NO3/c1-13(2,3)6-5-12(15)14-7-8-17-11(9-14)10-16-4/h5-6,11H,7-10H2,1-4H3/b6-5+
InChIKeyWCEPLPVOGONCMJ-AATRIKPKSA-N
XLogP1.46
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-1-[2-(methoxymethyl)morpholin-4-yl]-4,4-dimethylpent-2-en-1-one?
The IUPAC name of (E)-1-[2-(methoxymethyl)morpholin-4-yl]-4,4-dimethylpent-2-en-1-one (CID 21060141) is (E)-1-[2-(methoxymethyl)morpholin-4-yl]-4,4-dimethylpent-2-en-1-one.
What is the SMILES notation for (E)-1-[2-(methoxymethyl)morpholin-4-yl]-4,4-dimethylpent-2-en-1-one?
The canonical SMILES for (E)-1-[2-(methoxymethyl)morpholin-4-yl]-4,4-dimethylpent-2-en-1-one is COCC1CN(C(=O)/C=C/C(C)(C)C)CCO1.
What is the InChIKey of (E)-1-[2-(methoxymethyl)morpholin-4-yl]-4,4-dimethylpent-2-en-1-one?
The InChIKey is WCEPLPVOGONCMJ-AATRIKPKSA-N. The full InChI is InChI=1S/C13H23NO3/c1-13(2,3)6-5-12(15)14-7-8-17-11(9-14)10-16-4/h5-6,11H,7-10H2,1-4H3/b6-5+.
What are the key properties of (E)-1-[2-(methoxymethyl)morpholin-4-yl]-4,4-dimethylpent-2-en-1-one?
(E)-1-[2-(methoxymethyl)morpholin-4-yl]-4,4-dimethylpent-2-en-1-one has a molecular weight of 241.33 g/mol, XLogP of 1.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[2-(methoxymethyl)morpholin-4-yl]-4,4-dimethylpent-2-en-1-one is sourced from PubChem (CID 21060141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).