(Z)-N-(4-hydroxy-2-methylbutan-2-yl)-4-oxobut-2-enamide

C9H15NO3 — CID 167491092

IUPAC(Z)-N-(4-hydroxy-2-methylbutan-2-yl)-4-oxobut-2-enamide
SMILESCC(C)(CCO)NC(=O)/C=C\C=O
InChIInChI=1S/C9H15NO3/c1-9(2,5-7-12)10-8(13)4-3-6-11/h3-4,6,12H,5,7H2,1-2H3,(H,10,13)/b4-3-
InChIKeyMDFIUHQRXIXWFZ-ARJAWSKDSA-N
MW185.22 g/mol
LogP0.02
Rot. Bonds5

About (Z)-N-(4-hydroxy-2-methylbutan-2-yl)-4-oxobut-2-enamide

(Z)-N-(4-hydroxy-2-methylbutan-2-yl)-4-oxobut-2-enamide (PubChem CID 167491092) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is (Z)-N-(4-hydroxy-2-methylbutan-2-yl)-4-oxobut-2-enamide.

Molecular Properties

Compound Name(Z)-N-(4-hydroxy-2-methylbutan-2-yl)-4-oxobut-2-enamide
PubChem CID167491092
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name(Z)-N-(4-hydroxy-2-methylbutan-2-yl)-4-oxobut-2-enamide
SMILESCC(C)(CCO)NC(=O)/C=C\C=O
InChIInChI=1S/C9H15NO3/c1-9(2,5-7-12)10-8(13)4-3-6-11/h3-4,6,12H,5,7H2,1-2H3,(H,10,13)/b4-3-
InChIKeyMDFIUHQRXIXWFZ-ARJAWSKDSA-N
XLogP0.02
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,4-dimethylpentane;ethane;(Z)-N-(4-hydroxy-2-methylbutan-2-yl)-4-oxohex-2-enamide
CID 178008516
N-(4-hydroxy-2-methylbutan-2-yl)-3,3-dimethylbutanamide
CID 58875139
(E)-3-(2-fluorophenyl)-N-(4-hydroxy-2-methylbutan-2-yl)prop-2-enamide
CID 115968924
(E)-N-(4-hydroxy-2-methylbutan-2-yl)-3-(1-methylpyrazol-4-yl)prop-2-enamide
CID 115968812
(E)-N-(4-hydroxy-2-methylbutan-2-yl)-3-pyridin-3-ylprop-2-enamide
CID 113343229
(E)-3-(5-bromothiophen-2-yl)-N-(4-hydroxy-2-methylbutan-2-yl)prop-2-enamide
CID 115870200
1-ethyl-3-(4-hydroxy-2-methylbutan-2-yl)urea
CID 115674453
N-(4-hydroxy-2-methylbutan-2-yl)-2,2-dimethylcyclopropane-1-carboxamide
CID 103944810
5-bromo-N-(4-hydroxy-2-methylbutan-2-yl)pentanamide
CID 107910640
N-(2-methylheptan-2-yl)but-2-enamide
CID 87737908
(2E,4E)-N'-(1-hydroxy-2-methylpropan-2-yl)-N-[2-(prop-2-enoylamino)ethyl]hexa-2,4-dienediamide
CID 146370629
(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-(4-hydroxy-2-methylbutan-2-yl)prop-2-enamide
CID 115870213

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(4-hydroxy-2-methylbutan-2-yl)-4-oxobut-2-enamide?
The IUPAC name of (Z)-N-(4-hydroxy-2-methylbutan-2-yl)-4-oxobut-2-enamide (CID 167491092) is (Z)-N-(4-hydroxy-2-methylbutan-2-yl)-4-oxobut-2-enamide.
What is the SMILES notation for (Z)-N-(4-hydroxy-2-methylbutan-2-yl)-4-oxobut-2-enamide?
The canonical SMILES for (Z)-N-(4-hydroxy-2-methylbutan-2-yl)-4-oxobut-2-enamide is CC(C)(CCO)NC(=O)/C=C\C=O.
What is the InChIKey of (Z)-N-(4-hydroxy-2-methylbutan-2-yl)-4-oxobut-2-enamide?
The InChIKey is MDFIUHQRXIXWFZ-ARJAWSKDSA-N. The full InChI is InChI=1S/C9H15NO3/c1-9(2,5-7-12)10-8(13)4-3-6-11/h3-4,6,12H,5,7H2,1-2H3,(H,10,13)/b4-3-.
What are the key properties of (Z)-N-(4-hydroxy-2-methylbutan-2-yl)-4-oxobut-2-enamide?
(Z)-N-(4-hydroxy-2-methylbutan-2-yl)-4-oxobut-2-enamide has a molecular weight of 185.22 g/mol, XLogP of 0.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(4-hydroxy-2-methylbutan-2-yl)-4-oxobut-2-enamide is sourced from PubChem (CID 167491092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).