(E)-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]but-2-enamide

C10H19NO2 — CID 10679097

IUPAC(E)-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]but-2-enamide
SMILESC/C=C/C(=O)N[C@H](CO)C(C)(C)C
InChIInChI=1S/C10H19NO2/c1-5-6-9(13)11-8(7-12)10(2,3)4/h5-6,8,12H,7H2,1-4H3,(H,11,13)/b6-5+/t8-/m1/s1
InChIKeyDDYMWKQBQARPJJ-HQZHTGGTSA-N
MW185.27 g/mol
LogP1.09
Rot. Bonds3

About (E)-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]but-2-enamide

(E)-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]but-2-enamide (PubChem CID 10679097) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is (E)-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]but-2-enamide.

Molecular Properties

Compound Name(E)-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]but-2-enamide
PubChem CID10679097
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name(E)-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]but-2-enamide
SMILESC/C=C/C(=O)N[C@H](CO)C(C)(C)C
InChIInChI=1S/C10H19NO2/c1-5-6-9(13)11-8(7-12)10(2,3)4/h5-6,8,12H,7H2,1-4H3,(H,11,13)/b6-5+/t8-/m1/s1
InChIKeyDDYMWKQBQARPJJ-HQZHTGGTSA-N
XLogP1.09
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.09
H-Bond Donors ≤ 52
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-[(2R)-1-hydroxybutan-2-yl]but-2-enamide
CID 12046591
N-(1-hydroxybutan-2-yl)prop-2-enamide
CID 19357460
(Z)-N-(1-hydroxy-3-methylbut-3-en-2-yl)-2-methylbut-2-enamide
CID 89683403
N-[(2R)-1-hydroxybutan-2-yl]prop-2-enamide
CID 103846279
N-(4-hydroxy-3,3-dimethylbutan-2-yl)-2-methylprop-2-enamide
CID 139908446
3-hydroxy-N-(1-hydroxybutan-2-yl)but-2-enamide
CID 140606086
N-(1-hydroxy-3-methylbutan-2-yl)-2-methylprop-2-enamide
CID 140907600
N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-2-methylpenta-2,4-dienamide
CID 141293223
(E)-N'-(2,2-dimethylpropyl)-N-(2-hydroxyethyl)but-2-enediamide
CID 176757892
(E)-N-(1-hydroxybutan-2-yl)but-2-enamide
CID 21605832
N-(1-hydroxybutan-2-yl)-3-methylbut-2-enamide
CID 43418145
(2E,4E)-N-(1-hydroxybutan-2-yl)hexa-2,4-dienamide
CID 43418149

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]but-2-enamide?
The IUPAC name of (E)-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]but-2-enamide (CID 10679097) is (E)-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]but-2-enamide.
What is the SMILES notation for (E)-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]but-2-enamide?
The canonical SMILES for (E)-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]but-2-enamide is C/C=C/C(=O)N[C@H](CO)C(C)(C)C.
What is the InChIKey of (E)-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]but-2-enamide?
The InChIKey is DDYMWKQBQARPJJ-HQZHTGGTSA-N. The full InChI is InChI=1S/C10H19NO2/c1-5-6-9(13)11-8(7-12)10(2,3)4/h5-6,8,12H,7H2,1-4H3,(H,11,13)/b6-5+/t8-/m1/s1.
What are the key properties of (E)-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]but-2-enamide?
(E)-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]but-2-enamide has a molecular weight of 185.27 g/mol, XLogP of 1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]but-2-enamide is sourced from PubChem (CID 10679097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).