(E)-6-[2-methoxyethyl(methyl)amino]-2-methylhex-4-en-3-one

C11H21NO2 — CID 90209215

IUPAC(E)-6-[2-methoxyethyl(methyl)amino]-2-methylhex-4-en-3-one
SMILESCOCCN(C)C/C=C/C(=O)C(C)C
InChIInChI=1S/C11H21NO2/c1-10(2)11(13)6-5-7-12(3)8-9-14-4/h5-6,10H,7-9H2,1-4H3/b6-5+
InChIKeyMUGDXFIWYSVNQJ-AATRIKPKSA-N
MW199.29 g/mol
LogP1.35
Rot. Bonds7

About (E)-6-[2-methoxyethyl(methyl)amino]-2-methylhex-4-en-3-one

(E)-6-[2-methoxyethyl(methyl)amino]-2-methylhex-4-en-3-one (PubChem CID 90209215) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is (E)-6-[2-methoxyethyl(methyl)amino]-2-methylhex-4-en-3-one.

Molecular Properties

Compound Name(E)-6-[2-methoxyethyl(methyl)amino]-2-methylhex-4-en-3-one
PubChem CID90209215
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name(E)-6-[2-methoxyethyl(methyl)amino]-2-methylhex-4-en-3-one
SMILESCOCCN(C)C/C=C/C(=O)C(C)C
InChIInChI=1S/C11H21NO2/c1-10(2)11(13)6-5-7-12(3)8-9-14-4/h5-6,10H,7-9H2,1-4H3/b6-5+
InChIKeyMUGDXFIWYSVNQJ-AATRIKPKSA-N
XLogP1.35
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.35
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)-6-[2-methoxyethyl(methyl)amino]-2-methylhex-4-en-3-one?
The IUPAC name of (E)-6-[2-methoxyethyl(methyl)amino]-2-methylhex-4-en-3-one (CID 90209215) is (E)-6-[2-methoxyethyl(methyl)amino]-2-methylhex-4-en-3-one.
What is the SMILES notation for (E)-6-[2-methoxyethyl(methyl)amino]-2-methylhex-4-en-3-one?
The canonical SMILES for (E)-6-[2-methoxyethyl(methyl)amino]-2-methylhex-4-en-3-one is COCCN(C)C/C=C/C(=O)C(C)C.
What is the InChIKey of (E)-6-[2-methoxyethyl(methyl)amino]-2-methylhex-4-en-3-one?
The InChIKey is MUGDXFIWYSVNQJ-AATRIKPKSA-N. The full InChI is InChI=1S/C11H21NO2/c1-10(2)11(13)6-5-7-12(3)8-9-14-4/h5-6,10H,7-9H2,1-4H3/b6-5+.
What are the key properties of (E)-6-[2-methoxyethyl(methyl)amino]-2-methylhex-4-en-3-one?
(E)-6-[2-methoxyethyl(methyl)amino]-2-methylhex-4-en-3-one has a molecular weight of 199.29 g/mol, XLogP of 1.35, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6-[2-methoxyethyl(methyl)amino]-2-methylhex-4-en-3-one is sourced from PubChem (CID 90209215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).