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

C10H19NO2 — CID 135175896

IUPAC(E)-6-[2-hydroxyethyl(methyl)amino]-2-methylhex-4-en-3-one
SMILESCC(C)C(=O)/C=C/CN(C)CCO
InChIInChI=1S/C10H19NO2/c1-9(2)10(13)5-4-6-11(3)7-8-12/h4-5,9,12H,6-8H2,1-3H3/b5-4+
InChIKeyMMUKTJKESBGOSG-SNAWJCMRSA-N
MW185.27 g/mol
LogP0.69
Rot. Bonds6

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

(E)-6-[2-hydroxyethyl(methyl)amino]-2-methylhex-4-en-3-one (PubChem CID 135175896) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is (E)-6-[2-hydroxyethyl(methyl)amino]-2-methylhex-4-en-3-one.

Molecular Properties

Compound Name(E)-6-[2-hydroxyethyl(methyl)amino]-2-methylhex-4-en-3-one
PubChem CID135175896
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name(E)-6-[2-hydroxyethyl(methyl)amino]-2-methylhex-4-en-3-one
SMILESCC(C)C(=O)/C=C/CN(C)CCO
InChIInChI=1S/C10H19NO2/c1-9(2)10(13)5-4-6-11(3)7-8-12/h4-5,9,12H,6-8H2,1-3H3/b5-4+
InChIKeyMMUKTJKESBGOSG-SNAWJCMRSA-N
XLogP0.69
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.69
H-Bond Donors ≤ 51
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-(diethylamino)-2-methylhex-4-en-3-one
CID 14765503
(E)-2-methyl-6-morpholin-4-ylhex-4-en-3-one
CID 14765509
(E)-6-[2-methoxyethyl(methyl)amino]-2-methylhex-4-en-3-one
CID 90209215
(E)-6-[2-methoxyethyl(methyl)amino]hex-4-en-3-one
CID 129093775
(E)-1-[2-methoxyethyl(methyl)amino]-5-methylhept-2-en-4-one
CID 129142750
(E)-6-[ethyl(methyl)amino]-2-methylhex-4-en-3-one
CID 129266105
(E)-5-[2-hydroxyethyl(methyl)amino]pent-3-en-2-one
CID 135176837
(E)-6-(2-hydroxyethylamino)-2-methylhex-4-en-3-one
CID 135183413
(E)-6-[bis(2-methoxyethyl)amino]-2-methylhex-4-en-3-one
CID 137471183
(E)-5-ethyl-1-[2-methoxyethyl(methyl)amino]hept-2-en-4-one
CID 154980151
(E)-6-(dimethylamino)-2-methylhex-4-en-3-one;4-methylpent-1-en-3-one
CID 161106625
(E)-6-[2-hydroxyethyl(methyl)amino]hex-4-en-3-one
CID 166698489

Frequently Asked Questions

What is the IUPAC name of (E)-6-[2-hydroxyethyl(methyl)amino]-2-methylhex-4-en-3-one?
The IUPAC name of (E)-6-[2-hydroxyethyl(methyl)amino]-2-methylhex-4-en-3-one (CID 135175896) is (E)-6-[2-hydroxyethyl(methyl)amino]-2-methylhex-4-en-3-one.
What is the SMILES notation for (E)-6-[2-hydroxyethyl(methyl)amino]-2-methylhex-4-en-3-one?
The canonical SMILES for (E)-6-[2-hydroxyethyl(methyl)amino]-2-methylhex-4-en-3-one is CC(C)C(=O)/C=C/CN(C)CCO.
What is the InChIKey of (E)-6-[2-hydroxyethyl(methyl)amino]-2-methylhex-4-en-3-one?
The InChIKey is MMUKTJKESBGOSG-SNAWJCMRSA-N. The full InChI is InChI=1S/C10H19NO2/c1-9(2)10(13)5-4-6-11(3)7-8-12/h4-5,9,12H,6-8H2,1-3H3/b5-4+.
What are the key properties of (E)-6-[2-hydroxyethyl(methyl)amino]-2-methylhex-4-en-3-one?
(E)-6-[2-hydroxyethyl(methyl)amino]-2-methylhex-4-en-3-one has a molecular weight of 185.27 g/mol, XLogP of 0.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6-[2-hydroxyethyl(methyl)amino]-2-methylhex-4-en-3-one is sourced from PubChem (CID 135175896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).