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

C11H21NO2 — CID 88632177

IUPAC(Z)-4-[ethyl(4-hydroxybutyl)amino]pent-3-en-2-one
SMILESCCN(CCCCO)/C(C)=C\C(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/b10-9-
InChIKeySTVMUXDOJQBLHH-KTKRTIGZSA-N
MW199.29 g/mol
LogP1.57
Rot. Bonds7

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

(Z)-4-[ethyl(4-hydroxybutyl)amino]pent-3-en-2-one (PubChem CID 88632177) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is (Z)-4-[ethyl(4-hydroxybutyl)amino]pent-3-en-2-one.

Molecular Properties

Compound Name(Z)-4-[ethyl(4-hydroxybutyl)amino]pent-3-en-2-one
PubChem CID88632177
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name(Z)-4-[ethyl(4-hydroxybutyl)amino]pent-3-en-2-one
SMILESCCN(CCCCO)/C(C)=C\C(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/b10-9-
InChIKeySTVMUXDOJQBLHH-KTKRTIGZSA-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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Frequently Asked Questions

What is the IUPAC name of (Z)-4-[ethyl(4-hydroxybutyl)amino]pent-3-en-2-one?
The IUPAC name of (Z)-4-[ethyl(4-hydroxybutyl)amino]pent-3-en-2-one (CID 88632177) is (Z)-4-[ethyl(4-hydroxybutyl)amino]pent-3-en-2-one.
What is the SMILES notation for (Z)-4-[ethyl(4-hydroxybutyl)amino]pent-3-en-2-one?
The canonical SMILES for (Z)-4-[ethyl(4-hydroxybutyl)amino]pent-3-en-2-one is CCN(CCCCO)/C(C)=C\C(C)=O.
What is the InChIKey of (Z)-4-[ethyl(4-hydroxybutyl)amino]pent-3-en-2-one?
The InChIKey is STVMUXDOJQBLHH-KTKRTIGZSA-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/b10-9-.
What are the key properties of (Z)-4-[ethyl(4-hydroxybutyl)amino]pent-3-en-2-one?
(Z)-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 (Z)-4-[ethyl(4-hydroxybutyl)amino]pent-3-en-2-one is sourced from PubChem (CID 88632177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).