N-(2-hydroxy-6-methylphenyl)prop-2-ynamide

C10H9NO2 — CID 130610488

IUPACN-(2-hydroxy-6-methylphenyl)prop-2-ynamide
SMILESC#CC(=O)Nc1c(C)cccc1O
InChIInChI=1S/C10H9NO2/c1-3-9(13)11-10-7(2)5-4-6-8(10)12/h1,4-6,12H,2H3,(H,11,13)
InChIKeyHHBPTXPUNCDNOD-UHFFFAOYSA-N
MW175.19 g/mol
LogP1.27
Rot. Bonds1

About N-(2-hydroxy-6-methylphenyl)prop-2-ynamide

N-(2-hydroxy-6-methylphenyl)prop-2-ynamide (PubChem CID 130610488) has the molecular formula C10H9NO2 and a molecular weight of 175.19 g/mol. Its IUPAC name is N-(2-hydroxy-6-methylphenyl)prop-2-ynamide.

Molecular Properties

Compound NameN-(2-hydroxy-6-methylphenyl)prop-2-ynamide
PubChem CID130610488
Molecular FormulaC10H9NO2
Molecular Weight175.19 g/mol
Exact Mass175.06
IUPAC NameN-(2-hydroxy-6-methylphenyl)prop-2-ynamide
SMILESC#CC(=O)Nc1c(C)cccc1O
InChIInChI=1S/C10H9NO2/c1-3-9(13)11-10-7(2)5-4-6-8(10)12/h1,4-6,12H,2H3,(H,11,13)
InChIKeyHHBPTXPUNCDNOD-UHFFFAOYSA-N
XLogP1.27
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis(2,6-dimethylphenyl)oxamide
CID 3764178
3,3-difluoro-N-(2-hydroxy-6-methylphenyl)butanamide
CID 154754567
2-hydrazinyl-3-methylphenol
CID 130966480
N-(3,5-dichloro-2-hydroxyphenyl)-N'-(2-hydroxy-6-methylphenyl)oxamide
CID 11416940
N-(2-hydroxy-6-methylphenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 163522026
N-(2,6-dimethylphenyl)-N'-(2,4,6-trimethylphenyl)oxamide
CID 108512317
3-hydroxy-N-(2-hydroxy-6-methylphenyl)-3-phenylpropanamide
CID 110009743
N,N'-bis(2-ethyl-6-methylphenyl)oxamide
CID 3725747
N-[4-(2,6-dimethylanilino)-3-[1-methyl-5-(methylamino)-6-oxo-3-pyridinyl]phenyl]prop-2-ynamide
CID 146575656
2-chloro-N-(2-chloro-6-methylphenyl)-6-(methylamino)pyridine-4-carboxamide
CID 66255648
3-(4-chlorophenyl)-3-hydroxy-N-(2-hydroxy-6-methylphenyl)propanamide
CID 110009750
2,6-dichloro-N-(2-chloro-6-methylphenyl)benzamide
CID 4548334

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-6-methylphenyl)prop-2-ynamide?
The IUPAC name of N-(2-hydroxy-6-methylphenyl)prop-2-ynamide (CID 130610488) is N-(2-hydroxy-6-methylphenyl)prop-2-ynamide.
What is the SMILES notation for N-(2-hydroxy-6-methylphenyl)prop-2-ynamide?
The canonical SMILES for N-(2-hydroxy-6-methylphenyl)prop-2-ynamide is C#CC(=O)Nc1c(C)cccc1O.
What is the InChIKey of N-(2-hydroxy-6-methylphenyl)prop-2-ynamide?
The InChIKey is HHBPTXPUNCDNOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2/c1-3-9(13)11-10-7(2)5-4-6-8(10)12/h1,4-6,12H,2H3,(H,11,13).
What are the key properties of N-(2-hydroxy-6-methylphenyl)prop-2-ynamide?
N-(2-hydroxy-6-methylphenyl)prop-2-ynamide has a molecular weight of 175.19 g/mol, XLogP of 1.27, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-6-methylphenyl)prop-2-ynamide is sourced from PubChem (CID 130610488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).