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

C10H19NO2 — CID 129093775

IUPAC(E)-6-[2-methoxyethyl(methyl)amino]hex-4-en-3-one
SMILESCCC(=O)/C=C/CN(C)CCOC
InChIInChI=1S/C10H19NO2/c1-4-10(12)6-5-7-11(2)8-9-13-3/h5-6H,4,7-9H2,1-3H3/b6-5+
InChIKeyQDRVFZHCKYLMHB-AATRIKPKSA-N
MW185.27 g/mol
LogP1.10
Rot. Bonds7

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

(E)-6-[2-methoxyethyl(methyl)amino]hex-4-en-3-one (PubChem CID 129093775) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is (E)-6-[2-methoxyethyl(methyl)amino]hex-4-en-3-one.

Molecular Properties

Compound Name(E)-6-[2-methoxyethyl(methyl)amino]hex-4-en-3-one
PubChem CID129093775
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name(E)-6-[2-methoxyethyl(methyl)amino]hex-4-en-3-one
SMILESCCC(=O)/C=C/CN(C)CCOC
InChIInChI=1S/C10H19NO2/c1-4-10(12)6-5-7-11(2)8-9-13-3/h5-6H,4,7-9H2,1-3H3/b6-5+
InChIKeyQDRVFZHCKYLMHB-AATRIKPKSA-N
XLogP1.10
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.10
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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Related Compounds

(E)-6-[4-[2-(2-fluoroethoxy)ethyl]piperazin-1-yl]hex-4-en-3-one
CID 148193639
(E)-6-(diethylamino)hex-4-en-3-one
CID 14765501
(E)-5-morpholin-4-ylpent-3-en-2-one
CID 14765506
(E)-6-morpholin-4-ylhex-4-en-3-one
CID 14765507
(E)-2-methyl-6-morpholin-4-ylhex-4-en-3-one
CID 14765509
5-Morpholin-4-ylpent-3-en-2-one
CID 85845536
(E)-5-[2-methoxyethyl(methyl)amino]pent-3-en-2-one
CID 89266734
(E)-6-[2-methoxyethyl(methyl)amino]-2-methylhex-4-en-3-one
CID 90209215
(E)-2,2-dimethyl-6-morpholin-4-ylhex-4-en-3-one
CID 122606427
5-[2-Methoxyethyl(methyl)amino]pent-3-en-2-one
CID 123324116
(E)-1-[2-methoxyethyl(methyl)amino]-5-methylhept-2-en-4-one
CID 129142750
(E)-1-[2-methoxyethyl(methyl)amino]-6,6-dimethylhept-2-en-4-one
CID 134579112

Frequently Asked Questions

What is the IUPAC name of (E)-6-[2-methoxyethyl(methyl)amino]hex-4-en-3-one?
The IUPAC name of (E)-6-[2-methoxyethyl(methyl)amino]hex-4-en-3-one (CID 129093775) is (E)-6-[2-methoxyethyl(methyl)amino]hex-4-en-3-one.
What is the SMILES notation for (E)-6-[2-methoxyethyl(methyl)amino]hex-4-en-3-one?
The canonical SMILES for (E)-6-[2-methoxyethyl(methyl)amino]hex-4-en-3-one is CCC(=O)/C=C/CN(C)CCOC.
What is the InChIKey of (E)-6-[2-methoxyethyl(methyl)amino]hex-4-en-3-one?
The InChIKey is QDRVFZHCKYLMHB-AATRIKPKSA-N. The full InChI is InChI=1S/C10H19NO2/c1-4-10(12)6-5-7-11(2)8-9-13-3/h5-6H,4,7-9H2,1-3H3/b6-5+.
What are the key properties of (E)-6-[2-methoxyethyl(methyl)amino]hex-4-en-3-one?
(E)-6-[2-methoxyethyl(methyl)amino]hex-4-en-3-one has a molecular weight of 185.27 g/mol, XLogP of 1.10, 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]hex-4-en-3-one is sourced from PubChem (CID 129093775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).