N-(2-hydroxyphenyl)-2-methyl-3-oxoprop-2-enamide

C10H9NO3 — CID 57231281

IUPACN-(2-hydroxyphenyl)-2-methyl-3-oxoprop-2-enamide
SMILESCC(=C=O)C(=O)Nc1ccccc1O
InChIInChI=1S/C10H9NO3/c1-7(6-12)10(14)11-8-4-2-3-5-9(8)13/h2-5,13H,1H3,(H,11,14)
InChIKeyYHKHWHBIDFXUFR-UHFFFAOYSA-N
MW191.19 g/mol
LogP1.11
Rot. Bonds2

About N-(2-hydroxyphenyl)-2-methyl-3-oxoprop-2-enamide

N-(2-hydroxyphenyl)-2-methyl-3-oxoprop-2-enamide (PubChem CID 57231281) has the molecular formula C10H9NO3 and a molecular weight of 191.19 g/mol. Its IUPAC name is N-(2-hydroxyphenyl)-2-methyl-3-oxoprop-2-enamide.

Molecular Properties

Compound NameN-(2-hydroxyphenyl)-2-methyl-3-oxoprop-2-enamide
PubChem CID57231281
Molecular FormulaC10H9NO3
Molecular Weight191.19 g/mol
Exact Mass191.06
IUPAC NameN-(2-hydroxyphenyl)-2-methyl-3-oxoprop-2-enamide
SMILESCC(=C=O)C(=O)Nc1ccccc1O
InChIInChI=1S/C10H9NO3/c1-7(6-12)10(14)11-8-4-2-3-5-9(8)13/h2-5,13H,1H3,(H,11,14)
InChIKeyYHKHWHBIDFXUFR-UHFFFAOYSA-N
XLogP1.11
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxyphenyl)-N'-propan-2-yloxamide
CID 108503255
N'-(2-fluorophenyl)-N-(2-hydroxyphenyl)oxamide
CID 108514248
methyl N-(2-hydroxyphenyl)carbamate
CID 819280
(E)-but-2-enedioic acid;N-(2-hydroxyphenyl)acetamide
CID 175230643
N'-(5-hydroxynaphthalen-1-yl)-N-(2-hydroxyphenyl)oxamide
CID 108509252
N-(4-tert-butylphenyl)-N'-(2-hydroxyphenyl)oxamide
CID 108514330
N'-(2,5-dimethylphenyl)-N-(2-hydroxyphenyl)oxamide
CID 108514348
N-[(2-hydroxyphenyl)carbamothioyl]acetamide
CID 13109787
2-acetamido-N-(2-hydroxyphenyl)-3-phenylprop-2-enamide
CID 4947897
(Z)-2-fluoro-N-(2-hydroxyphenyl)-3-methoxyprop-2-enamide
CID 84820478
N-butyl-N'-(2-hydroxyphenyl)oxamide
CID 108505091
4-bromophenol;N-(2-hydroxyphenyl)acetamide
CID 175122442

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyphenyl)-2-methyl-3-oxoprop-2-enamide?
The IUPAC name of N-(2-hydroxyphenyl)-2-methyl-3-oxoprop-2-enamide (CID 57231281) is N-(2-hydroxyphenyl)-2-methyl-3-oxoprop-2-enamide.
What is the SMILES notation for N-(2-hydroxyphenyl)-2-methyl-3-oxoprop-2-enamide?
The canonical SMILES for N-(2-hydroxyphenyl)-2-methyl-3-oxoprop-2-enamide is CC(=C=O)C(=O)Nc1ccccc1O.
What is the InChIKey of N-(2-hydroxyphenyl)-2-methyl-3-oxoprop-2-enamide?
The InChIKey is YHKHWHBIDFXUFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO3/c1-7(6-12)10(14)11-8-4-2-3-5-9(8)13/h2-5,13H,1H3,(H,11,14).
What are the key properties of N-(2-hydroxyphenyl)-2-methyl-3-oxoprop-2-enamide?
N-(2-hydroxyphenyl)-2-methyl-3-oxoprop-2-enamide has a molecular weight of 191.19 g/mol, XLogP of 1.11, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyphenyl)-2-methyl-3-oxoprop-2-enamide is sourced from PubChem (CID 57231281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).