4-(2-formyl-6-hydroxyphenyl)but-3-ynamide

C11H9NO3 — CID 170472889

IUPAC4-(2-formyl-6-hydroxyphenyl)but-3-ynamide
SMILESNC(=O)CC#Cc1c(O)cccc1C=O
InChIInChI=1S/C11H9NO3/c12-11(15)6-2-4-9-8(7-13)3-1-5-10(9)14/h1,3,5,7,14H,6H2,(H2,12,15)
InChIKeyYFOCVSURXSFQBE-UHFFFAOYSA-N
MW203.20 g/mol
LogP0.43
Rot. Bonds2

About 4-(2-formyl-6-hydroxyphenyl)but-3-ynamide

4-(2-formyl-6-hydroxyphenyl)but-3-ynamide (PubChem CID 170472889) has the molecular formula C11H9NO3 and a molecular weight of 203.20 g/mol. Its IUPAC name is 4-(2-formyl-6-hydroxyphenyl)but-3-ynamide.

Molecular Properties

Compound Name4-(2-formyl-6-hydroxyphenyl)but-3-ynamide
PubChem CID170472889
Molecular FormulaC11H9NO3
Molecular Weight203.20 g/mol
Exact Mass203.06
IUPAC Name4-(2-formyl-6-hydroxyphenyl)but-3-ynamide
SMILESNC(=O)CC#Cc1c(O)cccc1C=O
InChIInChI=1S/C11H9NO3/c12-11(15)6-2-4-9-8(7-13)3-1-5-10(9)14/h1,3,5,7,14H,6H2,(H2,12,15)
InChIKeyYFOCVSURXSFQBE-UHFFFAOYSA-N
XLogP0.43
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-(2-formyl-6-hydroxyphenyl)but-3-ynoate
CID 170469314
4-(4-fluoro-2-formylphenyl)but-3-ynamide
CID 170472912
4-(2-formyl-4,5-dimethoxyphenyl)but-3-ynamide
CID 170473909
4-(6-formyl-1,3-benzodioxol-5-yl)but-3-ynamide
CID 170473770
4-(3-formyl-1H-indol-6-yl)but-3-ynamide
CID 170473819
4-[2-(difluoromethoxy)-6-fluorophenyl]but-3-ynamide
CID 170473611
4-(2,3-dimethylphenyl)but-3-ynamide
CID 170472579
2,3-dihydroxybenzaldehyde
CID 159243971
4-(3-amino-2-methylphenyl)but-3-ynamide
CID 170472767
4-pyrimidin-2-ylbut-3-ynamide
CID 170472431
CID 158421076
CID 158421076
methyl 3-(4-amino-4-oxobut-1-ynyl)benzoate
CID 170473312

Frequently Asked Questions

What is the IUPAC name of 4-(2-formyl-6-hydroxyphenyl)but-3-ynamide?
The IUPAC name of 4-(2-formyl-6-hydroxyphenyl)but-3-ynamide (CID 170472889) is 4-(2-formyl-6-hydroxyphenyl)but-3-ynamide.
What is the SMILES notation for 4-(2-formyl-6-hydroxyphenyl)but-3-ynamide?
The canonical SMILES for 4-(2-formyl-6-hydroxyphenyl)but-3-ynamide is NC(=O)CC#Cc1c(O)cccc1C=O.
What is the InChIKey of 4-(2-formyl-6-hydroxyphenyl)but-3-ynamide?
The InChIKey is YFOCVSURXSFQBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO3/c12-11(15)6-2-4-9-8(7-13)3-1-5-10(9)14/h1,3,5,7,14H,6H2,(H2,12,15).
What are the key properties of 4-(2-formyl-6-hydroxyphenyl)but-3-ynamide?
4-(2-formyl-6-hydroxyphenyl)but-3-ynamide has a molecular weight of 203.20 g/mol, XLogP of 0.43, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-formyl-6-hydroxyphenyl)but-3-ynamide is sourced from PubChem (CID 170472889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).