(E)-2,2-dimethyl-6-morpholin-4-ylhex-4-en-3-one

C12H21NO2 — CID 122606427

IUPAC(E)-2,2-dimethyl-6-morpholin-4-ylhex-4-en-3-one
SMILESCC(C)(C)C(=O)/C=C/CN1CCOCC1
InChIInChI=1S/C12H21NO2/c1-12(2,3)11(14)5-4-6-13-7-9-15-10-8-13/h4-5H,6-10H2,1-3H3/b5-4+
InChIKeyWXWUVLBJMKELCO-SNAWJCMRSA-N
MW211.31 g/mol
LogP1.49
Rot. Bonds3

About (E)-2,2-dimethyl-6-morpholin-4-ylhex-4-en-3-one

(E)-2,2-dimethyl-6-morpholin-4-ylhex-4-en-3-one (PubChem CID 122606427) has the molecular formula C12H21NO2 and a molecular weight of 211.31 g/mol. Its IUPAC name is (E)-2,2-dimethyl-6-morpholin-4-ylhex-4-en-3-one.

Molecular Properties

Compound Name(E)-2,2-dimethyl-6-morpholin-4-ylhex-4-en-3-one
PubChem CID122606427
Molecular FormulaC12H21NO2
Molecular Weight211.31 g/mol
Exact Mass211.16
IUPAC Name(E)-2,2-dimethyl-6-morpholin-4-ylhex-4-en-3-one
SMILESCC(C)(C)C(=O)/C=C/CN1CCOCC1
InChIInChI=1S/C12H21NO2/c1-12(2,3)11(14)5-4-6-13-7-9-15-10-8-13/h4-5H,6-10H2,1-3H3/b5-4+
InChIKeyWXWUVLBJMKELCO-SNAWJCMRSA-N
XLogP1.49
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 51.49
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-morpholin-4-ylhex-4-en-3-one?
The IUPAC name of (E)-2,2-dimethyl-6-morpholin-4-ylhex-4-en-3-one (CID 122606427) is (E)-2,2-dimethyl-6-morpholin-4-ylhex-4-en-3-one.
What is the SMILES notation for (E)-2,2-dimethyl-6-morpholin-4-ylhex-4-en-3-one?
The canonical SMILES for (E)-2,2-dimethyl-6-morpholin-4-ylhex-4-en-3-one is CC(C)(C)C(=O)/C=C/CN1CCOCC1.
What is the InChIKey of (E)-2,2-dimethyl-6-morpholin-4-ylhex-4-en-3-one?
The InChIKey is WXWUVLBJMKELCO-SNAWJCMRSA-N. The full InChI is InChI=1S/C12H21NO2/c1-12(2,3)11(14)5-4-6-13-7-9-15-10-8-13/h4-5H,6-10H2,1-3H3/b5-4+.
What are the key properties of (E)-2,2-dimethyl-6-morpholin-4-ylhex-4-en-3-one?
(E)-2,2-dimethyl-6-morpholin-4-ylhex-4-en-3-one has a molecular weight of 211.31 g/mol, XLogP of 1.49, 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-morpholin-4-ylhex-4-en-3-one is sourced from PubChem (CID 122606427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).