(Z)-N-ethyl-4-oxohex-2-enamide

C8H13NO2 — CID 88554244

IUPAC(Z)-N-ethyl-4-oxohex-2-enamide
SMILESCCNC(=O)/C=C\C(=O)CC
InChIInChI=1S/C8H13NO2/c1-3-7(10)5-6-8(11)9-4-2/h5-6H,3-4H2,1-2H3,(H,9,11)/b6-5-
InChIKeyYTIQKXPSFHFSEP-WAYWQWQTSA-N
MW155.20 g/mol
LogP0.66
Rot. Bonds4

About (Z)-N-ethyl-4-oxohex-2-enamide

(Z)-N-ethyl-4-oxohex-2-enamide (PubChem CID 88554244) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is (Z)-N-ethyl-4-oxohex-2-enamide.

Molecular Properties

Compound Name(Z)-N-ethyl-4-oxohex-2-enamide
PubChem CID88554244
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name(Z)-N-ethyl-4-oxohex-2-enamide
SMILESCCNC(=O)/C=C\C(=O)CC
InChIInChI=1S/C8H13NO2/c1-3-7(10)5-6-8(11)9-4-2/h5-6H,3-4H2,1-2H3,(H,9,11)/b6-5-
InChIKeyYTIQKXPSFHFSEP-WAYWQWQTSA-N
XLogP0.66
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-N,N'-diethylbut-2-enediamide
CID 22015135
(E)-N-methyl-4-oxohex-2-enamide
CID 135176145
(E)-N-(2-ethoxyethyl)-4-oxohex-2-enamide
CID 174204849
(Z)-4-oxo-N-(2-propan-2-yloxyethyl)hex-2-enamide
CID 178007868
(Z)-3-cyano-N-ethylprop-2-enamide
CID 166882197
molecular hydrogen;(E)-4-oxo-N-(2-propan-2-yloxyethyl)hex-2-enamide
CID 167491604
(E)-4-oxohex-2-enamide
CID 153226355
(E)-1-hydroxypent-1-en-3-one
CID 12637148
(E)-3-cyclobutyl-N-ethylprop-2-enamide
CID 131232424
N-ethyl-3-(3-methyloxiran-2-yl)prop-2-enamide
CID 71366626
N-ethylprop-2-enamide;N-methylmethanamine
CID 22381553
(Z)-3-chloro-N-ethylbut-2-enamide
CID 55286817

Frequently Asked Questions

What is the IUPAC name of (Z)-N-ethyl-4-oxohex-2-enamide?
The IUPAC name of (Z)-N-ethyl-4-oxohex-2-enamide (CID 88554244) is (Z)-N-ethyl-4-oxohex-2-enamide.
What is the SMILES notation for (Z)-N-ethyl-4-oxohex-2-enamide?
The canonical SMILES for (Z)-N-ethyl-4-oxohex-2-enamide is CCNC(=O)/C=C\C(=O)CC.
What is the InChIKey of (Z)-N-ethyl-4-oxohex-2-enamide?
The InChIKey is YTIQKXPSFHFSEP-WAYWQWQTSA-N. The full InChI is InChI=1S/C8H13NO2/c1-3-7(10)5-6-8(11)9-4-2/h5-6H,3-4H2,1-2H3,(H,9,11)/b6-5-.
What are the key properties of (Z)-N-ethyl-4-oxohex-2-enamide?
(Z)-N-ethyl-4-oxohex-2-enamide has a molecular weight of 155.20 g/mol, XLogP of 0.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-ethyl-4-oxohex-2-enamide is sourced from PubChem (CID 88554244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).