2-(4-hydroxyphenyl)-4,4-dimethylpent-2-enamide

C13H17NO2 — CID 162236700

IUPAC2-(4-hydroxyphenyl)-4,4-dimethylpent-2-enamide
SMILESCC(C)(C)C=C(C(N)=O)c1ccc(O)cc1
InChIInChI=1S/C13H17NO2/c1-13(2,3)8-11(12(14)16)9-4-6-10(15)7-5-9/h4-8,15H,1-3H3,(H2,14,16)
InChIKeyZWDQXOXCFCULMV-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.31
Rot. Bonds2

About 2-(4-hydroxyphenyl)-4,4-dimethylpent-2-enamide

2-(4-hydroxyphenyl)-4,4-dimethylpent-2-enamide (PubChem CID 162236700) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)-4,4-dimethylpent-2-enamide.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)-4,4-dimethylpent-2-enamide
PubChem CID162236700
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name2-(4-hydroxyphenyl)-4,4-dimethylpent-2-enamide
SMILESCC(C)(C)C=C(C(N)=O)c1ccc(O)cc1
InChIInChI=1S/C13H17NO2/c1-13(2,3)8-11(12(14)16)9-4-6-10(15)7-5-9/h4-8,15H,1-3H3,(H2,14,16)
InChIKeyZWDQXOXCFCULMV-UHFFFAOYSA-N
XLogP2.31
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.31
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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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)-4,4-dimethylpent-2-enamide?
The IUPAC name of 2-(4-hydroxyphenyl)-4,4-dimethylpent-2-enamide (CID 162236700) is 2-(4-hydroxyphenyl)-4,4-dimethylpent-2-enamide.
What is the SMILES notation for 2-(4-hydroxyphenyl)-4,4-dimethylpent-2-enamide?
The canonical SMILES for 2-(4-hydroxyphenyl)-4,4-dimethylpent-2-enamide is CC(C)(C)C=C(C(N)=O)c1ccc(O)cc1.
What is the InChIKey of 2-(4-hydroxyphenyl)-4,4-dimethylpent-2-enamide?
The InChIKey is ZWDQXOXCFCULMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-13(2,3)8-11(12(14)16)9-4-6-10(15)7-5-9/h4-8,15H,1-3H3,(H2,14,16).
What are the key properties of 2-(4-hydroxyphenyl)-4,4-dimethylpent-2-enamide?
2-(4-hydroxyphenyl)-4,4-dimethylpent-2-enamide has a molecular weight of 219.28 g/mol, XLogP of 2.31, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)-4,4-dimethylpent-2-enamide is sourced from PubChem (CID 162236700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).