(4E)-4-ethylidene-2,6-dimethyl-2-morpholin-4-ylheptan-3-one

C15H27NO2 — CID 166850608

IUPAC(4E)-4-ethylidene-2,6-dimethyl-2-morpholin-4-ylheptan-3-one
SMILESC/C=C(\CC(C)C)C(=O)C(C)(C)N1CCOCC1
InChIInChI=1S/C15H27NO2/c1-6-13(11-12(2)3)14(17)15(4,5)16-7-9-18-10-8-16/h6,12H,7-11H2,1-5H3/b13-6+
InChIKeyMFRYNODJMICSGH-AWNIVKPZSA-N
MW253.39 g/mol
LogP2.66
Rot. Bonds5

About (4E)-4-ethylidene-2,6-dimethyl-2-morpholin-4-ylheptan-3-one

(4E)-4-ethylidene-2,6-dimethyl-2-morpholin-4-ylheptan-3-one (PubChem CID 166850608) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is (4E)-4-ethylidene-2,6-dimethyl-2-morpholin-4-ylheptan-3-one.

Molecular Properties

Compound Name(4E)-4-ethylidene-2,6-dimethyl-2-morpholin-4-ylheptan-3-one
PubChem CID166850608
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name(4E)-4-ethylidene-2,6-dimethyl-2-morpholin-4-ylheptan-3-one
SMILESC/C=C(\CC(C)C)C(=O)C(C)(C)N1CCOCC1
InChIInChI=1S/C15H27NO2/c1-6-13(11-12(2)3)14(17)15(4,5)16-7-9-18-10-8-16/h6,12H,7-11H2,1-5H3/b13-6+
InChIKeyMFRYNODJMICSGH-AWNIVKPZSA-N
XLogP2.66
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (4E)-4-ethylidene-2,6-dimethyl-2-morpholin-4-ylheptan-3-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 (4E)-4-ethylidene-2,6-dimethyl-2-morpholin-4-ylheptan-3-one?
The IUPAC name of (4E)-4-ethylidene-2,6-dimethyl-2-morpholin-4-ylheptan-3-one (CID 166850608) is (4E)-4-ethylidene-2,6-dimethyl-2-morpholin-4-ylheptan-3-one.
What is the SMILES notation for (4E)-4-ethylidene-2,6-dimethyl-2-morpholin-4-ylheptan-3-one?
The canonical SMILES for (4E)-4-ethylidene-2,6-dimethyl-2-morpholin-4-ylheptan-3-one is C/C=C(\CC(C)C)C(=O)C(C)(C)N1CCOCC1.
What is the InChIKey of (4E)-4-ethylidene-2,6-dimethyl-2-morpholin-4-ylheptan-3-one?
The InChIKey is MFRYNODJMICSGH-AWNIVKPZSA-N. The full InChI is InChI=1S/C15H27NO2/c1-6-13(11-12(2)3)14(17)15(4,5)16-7-9-18-10-8-16/h6,12H,7-11H2,1-5H3/b13-6+.
What are the key properties of (4E)-4-ethylidene-2,6-dimethyl-2-morpholin-4-ylheptan-3-one?
(4E)-4-ethylidene-2,6-dimethyl-2-morpholin-4-ylheptan-3-one has a molecular weight of 253.39 g/mol, XLogP of 2.66, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-ethylidene-2,6-dimethyl-2-morpholin-4-ylheptan-3-one is sourced from PubChem (CID 166850608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).