(E)-2-hydroxy-3-methyl-4-phenylbut-3-enamide

C11H13NO2 — CID 119092387

IUPAC(E)-2-hydroxy-3-methyl-4-phenylbut-3-enamide
SMILESC/C(=C\c1ccccc1)C(O)C(N)=O
InChIInChI=1S/C11H13NO2/c1-8(10(13)11(12)14)7-9-5-3-2-4-6-9/h2-7,10,13H,1H3,(H2,12,14)/b8-7+
InChIKeyJYBDGKYSGAWORD-BQYQJAHWSA-N
MW191.23 g/mol
LogP0.94
Rot. Bonds3

About (E)-2-hydroxy-3-methyl-4-phenylbut-3-enamide

(E)-2-hydroxy-3-methyl-4-phenylbut-3-enamide (PubChem CID 119092387) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is (E)-2-hydroxy-3-methyl-4-phenylbut-3-enamide.

Molecular Properties

Compound Name(E)-2-hydroxy-3-methyl-4-phenylbut-3-enamide
PubChem CID119092387
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name(E)-2-hydroxy-3-methyl-4-phenylbut-3-enamide
SMILESC/C(=C\c1ccccc1)C(O)C(N)=O
InChIInChI=1S/C11H13NO2/c1-8(10(13)11(12)14)7-9-5-3-2-4-6-9/h2-7,10,13H,1H3,(H2,12,14)/b8-7+
InChIKeyJYBDGKYSGAWORD-BQYQJAHWSA-N
XLogP0.94
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-N-tert-butyl-2-hydroxy-4-phenylbut-3-enamide
CID 11276349
(E)-3-hydroxy-2,2-dimethyl-5-phenylpent-4-enamide
CID 44560414
(4Z,6E)-3-hydroxy-2,2,4-trimethyl-7-phenylhepta-4,6-dienamide
CID 44560415
(E)-N-tert-butyl-2-hydroxy-3-methyl-4-phenylbut-3-enamide
CID 101254347
(R)-2-Hydroxy-4-phenylbutanamide
CID 13741808
(E,2R,3S)-3-hydroxy-2-methyl-5-phenylpent-4-enamide
CID 59408285
(R)-2-Hydroxy-4-phenylbutanamide, ctk5I0764, 99902-36-0, AG-I-02739
CID 13741807
(E,2S)-N-tert-butyl-2-hydroxy-4-phenylbut-3-enamide
CID 11608331
2-Hydroxystilbamide
CID 129734533
(E,2S)-2-hydroxy-N-methyl-4-phenylbut-3-enamide
CID 138982112
(E,2S)-N-tert-butyl-2-hydroxy-4-(4-methylphenyl)but-3-enamide
CID 138982398
N-Methyl-2-hydroxy-4-phenyl-3-butenamide
CID 5371914

Frequently Asked Questions

What is the IUPAC name of (E)-2-hydroxy-3-methyl-4-phenylbut-3-enamide?
The IUPAC name of (E)-2-hydroxy-3-methyl-4-phenylbut-3-enamide (CID 119092387) is (E)-2-hydroxy-3-methyl-4-phenylbut-3-enamide.
What is the SMILES notation for (E)-2-hydroxy-3-methyl-4-phenylbut-3-enamide?
The canonical SMILES for (E)-2-hydroxy-3-methyl-4-phenylbut-3-enamide is C/C(=C\c1ccccc1)C(O)C(N)=O.
What is the InChIKey of (E)-2-hydroxy-3-methyl-4-phenylbut-3-enamide?
The InChIKey is JYBDGKYSGAWORD-BQYQJAHWSA-N. The full InChI is InChI=1S/C11H13NO2/c1-8(10(13)11(12)14)7-9-5-3-2-4-6-9/h2-7,10,13H,1H3,(H2,12,14)/b8-7+.
What are the key properties of (E)-2-hydroxy-3-methyl-4-phenylbut-3-enamide?
(E)-2-hydroxy-3-methyl-4-phenylbut-3-enamide has a molecular weight of 191.23 g/mol, XLogP of 0.94, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-hydroxy-3-methyl-4-phenylbut-3-enamide is sourced from PubChem (CID 119092387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).