N-(3-hydroxy-2-prop-2-enylphenyl)acetamide

C11H13NO2 — CID 825830

IUPACN-(3-hydroxy-2-prop-2-enylphenyl)acetamide
SMILESC=CCc1c(O)cccc1NC(C)=O
InChIInChI=1S/C11H13NO2/c1-3-5-9-10(12-8(2)13)6-4-7-11(9)14/h3-4,6-7,14H,1,5H2,2H3,(H,12,13)
InChIKeyDCGKMAMUVWHACT-UHFFFAOYSA-N
MW191.23 g/mol
LogP2.08
Rot. Bonds3

About N-(3-hydroxy-2-prop-2-enylphenyl)acetamide

N-(3-hydroxy-2-prop-2-enylphenyl)acetamide (PubChem CID 825830) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is N-(3-hydroxy-2-prop-2-enylphenyl)acetamide.

Molecular Properties

Compound NameN-(3-hydroxy-2-prop-2-enylphenyl)acetamide
PubChem CID825830
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC NameN-(3-hydroxy-2-prop-2-enylphenyl)acetamide
SMILESC=CCc1c(O)cccc1NC(C)=O
InChIInChI=1S/C11H13NO2/c1-3-5-9-10(12-8(2)13)6-4-7-11(9)14/h3-4,6-7,14H,1,5H2,2H3,(H,12,13)
InChIKeyDCGKMAMUVWHACT-UHFFFAOYSA-N
XLogP2.08
TPSA49.33 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 ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2-prop-2-enylphenyl)acetamide?
The IUPAC name of N-(3-hydroxy-2-prop-2-enylphenyl)acetamide (CID 825830) is N-(3-hydroxy-2-prop-2-enylphenyl)acetamide.
What is the SMILES notation for N-(3-hydroxy-2-prop-2-enylphenyl)acetamide?
The canonical SMILES for N-(3-hydroxy-2-prop-2-enylphenyl)acetamide is C=CCc1c(O)cccc1NC(C)=O.
What is the InChIKey of N-(3-hydroxy-2-prop-2-enylphenyl)acetamide?
The InChIKey is DCGKMAMUVWHACT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-3-5-9-10(12-8(2)13)6-4-7-11(9)14/h3-4,6-7,14H,1,5H2,2H3,(H,12,13).
What are the key properties of N-(3-hydroxy-2-prop-2-enylphenyl)acetamide?
N-(3-hydroxy-2-prop-2-enylphenyl)acetamide has a molecular weight of 191.23 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2-prop-2-enylphenyl)acetamide is sourced from PubChem (CID 825830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).