(E)-6,6-dimethyl-1-morpholin-4-ylhept-2-en-1-one

C13H23NO2 — CID 59204400

IUPAC(E)-6,6-dimethyl-1-morpholin-4-ylhept-2-en-1-one
SMILESCC(C)(C)CC/C=C/C(=O)N1CCOCC1
InChIInChI=1S/C13H23NO2/c1-13(2,3)7-5-4-6-12(15)14-8-10-16-11-9-14/h4,6H,5,7-11H2,1-3H3/b6-4+
InChIKeyOSXJIRILVCPJGS-GQCTYLIASA-N
MW225.33 g/mol
LogP2.23
Rot. Bonds3

About (E)-6,6-dimethyl-1-morpholin-4-ylhept-2-en-1-one

(E)-6,6-dimethyl-1-morpholin-4-ylhept-2-en-1-one (PubChem CID 59204400) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is (E)-6,6-dimethyl-1-morpholin-4-ylhept-2-en-1-one.

Molecular Properties

Compound Name(E)-6,6-dimethyl-1-morpholin-4-ylhept-2-en-1-one
PubChem CID59204400
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name(E)-6,6-dimethyl-1-morpholin-4-ylhept-2-en-1-one
SMILESCC(C)(C)CC/C=C/C(=O)N1CCOCC1
InChIInChI=1S/C13H23NO2/c1-13(2,3)7-5-4-6-12(15)14-8-10-16-11-9-14/h4,6H,5,7-11H2,1-3H3/b6-4+
InChIKeyOSXJIRILVCPJGS-GQCTYLIASA-N
XLogP2.23
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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)-6,6-dimethyl-1-morpholin-4-ylhept-2-en-1-one?
The IUPAC name of (E)-6,6-dimethyl-1-morpholin-4-ylhept-2-en-1-one (CID 59204400) is (E)-6,6-dimethyl-1-morpholin-4-ylhept-2-en-1-one.
What is the SMILES notation for (E)-6,6-dimethyl-1-morpholin-4-ylhept-2-en-1-one?
The canonical SMILES for (E)-6,6-dimethyl-1-morpholin-4-ylhept-2-en-1-one is CC(C)(C)CC/C=C/C(=O)N1CCOCC1.
What is the InChIKey of (E)-6,6-dimethyl-1-morpholin-4-ylhept-2-en-1-one?
The InChIKey is OSXJIRILVCPJGS-GQCTYLIASA-N. The full InChI is InChI=1S/C13H23NO2/c1-13(2,3)7-5-4-6-12(15)14-8-10-16-11-9-14/h4,6H,5,7-11H2,1-3H3/b6-4+.
What are the key properties of (E)-6,6-dimethyl-1-morpholin-4-ylhept-2-en-1-one?
(E)-6,6-dimethyl-1-morpholin-4-ylhept-2-en-1-one has a molecular weight of 225.33 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6,6-dimethyl-1-morpholin-4-ylhept-2-en-1-one is sourced from PubChem (CID 59204400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).