(E)-2,2-dimethyl-6-[(2R)-2-methylmorpholin-4-yl]hept-4-en-3-one

C14H25NO2 — CID 172576987

IUPAC(E)-2,2-dimethyl-6-[(2R)-2-methylmorpholin-4-yl]hept-4-en-3-one
SMILESCC(/C=C/C(=O)C(C)(C)C)N1CCO[C@H](C)C1
InChIInChI=1S/C14H25NO2/c1-11(6-7-13(16)14(3,4)5)15-8-9-17-12(2)10-15/h6-7,11-12H,8-10H2,1-5H3/b7-6+/t11?,12-/m1/s1
InChIKeyWQUZHJWXZVYTFO-DRVRICDLSA-N
MW239.36 g/mol
LogP2.27
Rot. Bonds3

About (E)-2,2-dimethyl-6-[(2R)-2-methylmorpholin-4-yl]hept-4-en-3-one

(E)-2,2-dimethyl-6-[(2R)-2-methylmorpholin-4-yl]hept-4-en-3-one (PubChem CID 172576987) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is (E)-2,2-dimethyl-6-[(2R)-2-methylmorpholin-4-yl]hept-4-en-3-one.

Molecular Properties

Compound Name(E)-2,2-dimethyl-6-[(2R)-2-methylmorpholin-4-yl]hept-4-en-3-one
PubChem CID172576987
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name(E)-2,2-dimethyl-6-[(2R)-2-methylmorpholin-4-yl]hept-4-en-3-one
SMILESCC(/C=C/C(=O)C(C)(C)C)N1CCO[C@H](C)C1
InChIInChI=1S/C14H25NO2/c1-11(6-7-13(16)14(3,4)5)15-8-9-17-12(2)10-15/h6-7,11-12H,8-10H2,1-5H3/b7-6+/t11?,12-/m1/s1
InChIKeyWQUZHJWXZVYTFO-DRVRICDLSA-N
XLogP2.27
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.27
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)-2,2-dimethyl-6-[(2R)-2-methylmorpholin-4-yl]hept-4-en-3-one?
The IUPAC name of (E)-2,2-dimethyl-6-[(2R)-2-methylmorpholin-4-yl]hept-4-en-3-one (CID 172576987) is (E)-2,2-dimethyl-6-[(2R)-2-methylmorpholin-4-yl]hept-4-en-3-one.
What is the SMILES notation for (E)-2,2-dimethyl-6-[(2R)-2-methylmorpholin-4-yl]hept-4-en-3-one?
The canonical SMILES for (E)-2,2-dimethyl-6-[(2R)-2-methylmorpholin-4-yl]hept-4-en-3-one is CC(/C=C/C(=O)C(C)(C)C)N1CCO[C@H](C)C1.
What is the InChIKey of (E)-2,2-dimethyl-6-[(2R)-2-methylmorpholin-4-yl]hept-4-en-3-one?
The InChIKey is WQUZHJWXZVYTFO-DRVRICDLSA-N. The full InChI is InChI=1S/C14H25NO2/c1-11(6-7-13(16)14(3,4)5)15-8-9-17-12(2)10-15/h6-7,11-12H,8-10H2,1-5H3/b7-6+/t11?,12-/m1/s1.
What are the key properties of (E)-2,2-dimethyl-6-[(2R)-2-methylmorpholin-4-yl]hept-4-en-3-one?
(E)-2,2-dimethyl-6-[(2R)-2-methylmorpholin-4-yl]hept-4-en-3-one has a molecular weight of 239.36 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,2-dimethyl-6-[(2R)-2-methylmorpholin-4-yl]hept-4-en-3-one is sourced from PubChem (CID 172576987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).