(E)-1-(2,6-dimethylmorpholin-4-yl)-4,4-dimethylpent-2-en-1-one

C13H23NO2 — CID 21060133

IUPAC(E)-1-(2,6-dimethylmorpholin-4-yl)-4,4-dimethylpent-2-en-1-one
SMILESCC1CN(C(=O)/C=C/C(C)(C)C)CC(C)O1
InChIInChI=1S/C13H23NO2/c1-10-8-14(9-11(2)16-10)12(15)6-7-13(3,4)5/h6-7,10-11H,8-9H2,1-5H3/b7-6+
InChIKeyCDFWDDYCFKUFAC-VOTSOKGWSA-N
MW225.33 g/mol
LogP2.22
Rot. Bonds1

About (E)-1-(2,6-dimethylmorpholin-4-yl)-4,4-dimethylpent-2-en-1-one

(E)-1-(2,6-dimethylmorpholin-4-yl)-4,4-dimethylpent-2-en-1-one (PubChem CID 21060133) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is (E)-1-(2,6-dimethylmorpholin-4-yl)-4,4-dimethylpent-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(2,6-dimethylmorpholin-4-yl)-4,4-dimethylpent-2-en-1-one
PubChem CID21060133
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name(E)-1-(2,6-dimethylmorpholin-4-yl)-4,4-dimethylpent-2-en-1-one
SMILESCC1CN(C(=O)/C=C/C(C)(C)C)CC(C)O1
InChIInChI=1S/C13H23NO2/c1-10-8-14(9-11(2)16-10)12(15)6-7-13(3,4)5/h6-7,10-11H,8-9H2,1-5H3/b7-6+
InChIKeyCDFWDDYCFKUFAC-VOTSOKGWSA-N
XLogP2.22
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-1-(2,6-dimethylmorpholin-4-yl)-4,4-dimethylpent-2-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-1-(2,6-dimethylmorpholin-4-yl)-4,4-dimethylpent-2-en-1-one?
The IUPAC name of (E)-1-(2,6-dimethylmorpholin-4-yl)-4,4-dimethylpent-2-en-1-one (CID 21060133) is (E)-1-(2,6-dimethylmorpholin-4-yl)-4,4-dimethylpent-2-en-1-one.
What is the SMILES notation for (E)-1-(2,6-dimethylmorpholin-4-yl)-4,4-dimethylpent-2-en-1-one?
The canonical SMILES for (E)-1-(2,6-dimethylmorpholin-4-yl)-4,4-dimethylpent-2-en-1-one is CC1CN(C(=O)/C=C/C(C)(C)C)CC(C)O1.
What is the InChIKey of (E)-1-(2,6-dimethylmorpholin-4-yl)-4,4-dimethylpent-2-en-1-one?
The InChIKey is CDFWDDYCFKUFAC-VOTSOKGWSA-N. The full InChI is InChI=1S/C13H23NO2/c1-10-8-14(9-11(2)16-10)12(15)6-7-13(3,4)5/h6-7,10-11H,8-9H2,1-5H3/b7-6+.
What are the key properties of (E)-1-(2,6-dimethylmorpholin-4-yl)-4,4-dimethylpent-2-en-1-one?
(E)-1-(2,6-dimethylmorpholin-4-yl)-4,4-dimethylpent-2-en-1-one has a molecular weight of 225.33 g/mol, XLogP of 2.22, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(2,6-dimethylmorpholin-4-yl)-4,4-dimethylpent-2-en-1-one is sourced from PubChem (CID 21060133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).