(Z)-4-oxo-N-(2-propan-2-yloxyethyl)hex-2-enamide

C11H19NO3 — CID 178007868

IUPAC(Z)-4-oxo-N-(2-propan-2-yloxyethyl)hex-2-enamide
SMILESCCC(=O)/C=C\C(=O)NCCOC(C)C
InChIInChI=1S/C11H19NO3/c1-4-10(13)5-6-11(14)12-7-8-15-9(2)3/h5-6,9H,4,7-8H2,1-3H3,(H,12,14)/b6-5-
InChIKeyILOYAXPZZNQHKB-WAYWQWQTSA-N
MW213.28 g/mol
LogP1.06
Rot. Bonds7

About (Z)-4-oxo-N-(2-propan-2-yloxyethyl)hex-2-enamide

(Z)-4-oxo-N-(2-propan-2-yloxyethyl)hex-2-enamide (PubChem CID 178007868) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is (Z)-4-oxo-N-(2-propan-2-yloxyethyl)hex-2-enamide.

Molecular Properties

Compound Name(Z)-4-oxo-N-(2-propan-2-yloxyethyl)hex-2-enamide
PubChem CID178007868
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name(Z)-4-oxo-N-(2-propan-2-yloxyethyl)hex-2-enamide
SMILESCCC(=O)/C=C\C(=O)NCCOC(C)C
InChIInChI=1S/C11H19NO3/c1-4-10(13)5-6-11(14)12-7-8-15-9(2)3/h5-6,9H,4,7-8H2,1-3H3,(H,12,14)/b6-5-
InChIKeyILOYAXPZZNQHKB-WAYWQWQTSA-N
XLogP1.06
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.06
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-oxo-N-(2-propan-2-yloxyethyl)hex-2-enamide?
The IUPAC name of (Z)-4-oxo-N-(2-propan-2-yloxyethyl)hex-2-enamide (CID 178007868) is (Z)-4-oxo-N-(2-propan-2-yloxyethyl)hex-2-enamide.
What is the SMILES notation for (Z)-4-oxo-N-(2-propan-2-yloxyethyl)hex-2-enamide?
The canonical SMILES for (Z)-4-oxo-N-(2-propan-2-yloxyethyl)hex-2-enamide is CCC(=O)/C=C\C(=O)NCCOC(C)C.
What is the InChIKey of (Z)-4-oxo-N-(2-propan-2-yloxyethyl)hex-2-enamide?
The InChIKey is ILOYAXPZZNQHKB-WAYWQWQTSA-N. The full InChI is InChI=1S/C11H19NO3/c1-4-10(13)5-6-11(14)12-7-8-15-9(2)3/h5-6,9H,4,7-8H2,1-3H3,(H,12,14)/b6-5-.
What are the key properties of (Z)-4-oxo-N-(2-propan-2-yloxyethyl)hex-2-enamide?
(Z)-4-oxo-N-(2-propan-2-yloxyethyl)hex-2-enamide has a molecular weight of 213.28 g/mol, XLogP of 1.06, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-oxo-N-(2-propan-2-yloxyethyl)hex-2-enamide is sourced from PubChem (CID 178007868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).