4-[ethyl(4-hydroxybutyl)amino]pent-3-en-2-one

C11H21NO2 — CID 54324327

IUPAC4-[ethyl(4-hydroxybutyl)amino]pent-3-en-2-one
SMILESCCN(CCCCO)C(C)=CC(C)=O
InChIInChI=1S/C11H21NO2/c1-4-12(7-5-6-8-13)10(2)9-11(3)14/h9,13H,4-8H2,1-3H3
InChIKeySTVMUXDOJQBLHH-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.57
Rot. Bonds7

About 4-[ethyl(4-hydroxybutyl)amino]pent-3-en-2-one

4-[ethyl(4-hydroxybutyl)amino]pent-3-en-2-one (PubChem CID 54324327) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 4-[ethyl(4-hydroxybutyl)amino]pent-3-en-2-one.

Molecular Properties

Compound Name4-[ethyl(4-hydroxybutyl)amino]pent-3-en-2-one
PubChem CID54324327
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name4-[ethyl(4-hydroxybutyl)amino]pent-3-en-2-one
SMILESCCN(CCCCO)C(C)=CC(C)=O
InChIInChI=1S/C11H21NO2/c1-4-12(7-5-6-8-13)10(2)9-11(3)14/h9,13H,4-8H2,1-3H3
InChIKeySTVMUXDOJQBLHH-UHFFFAOYSA-N
XLogP1.57
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-Pyridone,3-hydroxy-2-ethyl-1-(4-hydroxy)butyl
CID 10330791
1-(3,4-Dihydroxybutyl)-2-methylpyridin-4-one;hydrochloride
CID 67805889
1-(3,4-Dihydroxybutyl)-2-methylpyridin-4-one
CID 67805890
(Z)-4-[ethyl(4-hydroxybutyl)amino]pent-3-en-2-one
CID 88632177
(E)-4-[ethyl(4-hydroxybutyl)amino]pent-3-en-2-one
CID 20040039
4-[(4-Hydroxybutyl)amino]pent-3-en-2-one
CID 71337879
1-(3-Hydroxycyclobutyl)-2,6-dimethylpyridin-4-one
CID 79885171
1-[(3-Hydroxycyclobutyl)methyl]-2,6-dimethylpyridin-4-one
CID 79885172
1-(4-Hydroxy-2-methylbutyl)-2,6-dimethylpyridin-4-one
CID 79885297
1-[(2R)-1-hydroxy-3-methylbutan-2-yl]-2,6-dimethylpyridin-4-one
CID 79885497
1-(1-Hydroxy-3-methylbutan-2-yl)-2,6-dimethylpyridin-4-one
CID 79885597
1-(3-Hydroxybutyl)-2,6-dimethylpyridin-4-one
CID 79885691

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(4-hydroxybutyl)amino]pent-3-en-2-one?
The IUPAC name of 4-[ethyl(4-hydroxybutyl)amino]pent-3-en-2-one (CID 54324327) is 4-[ethyl(4-hydroxybutyl)amino]pent-3-en-2-one.
What is the SMILES notation for 4-[ethyl(4-hydroxybutyl)amino]pent-3-en-2-one?
The canonical SMILES for 4-[ethyl(4-hydroxybutyl)amino]pent-3-en-2-one is CCN(CCCCO)C(C)=CC(C)=O.
What is the InChIKey of 4-[ethyl(4-hydroxybutyl)amino]pent-3-en-2-one?
The InChIKey is STVMUXDOJQBLHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-4-12(7-5-6-8-13)10(2)9-11(3)14/h9,13H,4-8H2,1-3H3.
What are the key properties of 4-[ethyl(4-hydroxybutyl)amino]pent-3-en-2-one?
4-[ethyl(4-hydroxybutyl)amino]pent-3-en-2-one has a molecular weight of 199.29 g/mol, XLogP of 1.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(4-hydroxybutyl)amino]pent-3-en-2-one is sourced from PubChem (CID 54324327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).