6-ethynyl-1H-pyridin-2-one

C7H5NO — CID 10103156

IUPAC6-ethynyl-1H-pyridin-2-one
SMILESC#Cc1cccc(=O)[nH]1
InChIInChI=1S/C7H5NO/c1-2-6-4-3-5-7(9)8-6/h1,3-5H,(H,8,9)
InChIKeyCZTTUTADMWTFAL-UHFFFAOYSA-N
MW119.12 g/mol
LogP0.36
Rot. Bonds

About 6-ethynyl-1H-pyridin-2-one

6-ethynyl-1H-pyridin-2-one (PubChem CID 10103156) has the molecular formula C7H5NO and a molecular weight of 119.12 g/mol. Its IUPAC name is 6-ethynyl-1H-pyridin-2-one.

Molecular Properties

Compound Name6-ethynyl-1H-pyridin-2-one
PubChem CID10103156
Molecular FormulaC7H5NO
Molecular Weight119.12 g/mol
Exact Mass119.04
IUPAC Name6-ethynyl-1H-pyridin-2-one
SMILESC#Cc1cccc(=O)[nH]1
InChIInChI=1S/C7H5NO/c1-2-6-4-3-5-7(9)8-6/h1,3-5H,(H,8,9)
InChIKeyCZTTUTADMWTFAL-UHFFFAOYSA-N
XLogP0.36
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.12
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-ethynyl-1H-pyridin-2-one?
The IUPAC name of 6-ethynyl-1H-pyridin-2-one (CID 10103156) is 6-ethynyl-1H-pyridin-2-one.
What is the SMILES notation for 6-ethynyl-1H-pyridin-2-one?
The canonical SMILES for 6-ethynyl-1H-pyridin-2-one is C#Cc1cccc(=O)[nH]1.
What is the InChIKey of 6-ethynyl-1H-pyridin-2-one?
The InChIKey is CZTTUTADMWTFAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5NO/c1-2-6-4-3-5-7(9)8-6/h1,3-5H,(H,8,9).
What are the key properties of 6-ethynyl-1H-pyridin-2-one?
6-ethynyl-1H-pyridin-2-one has a molecular weight of 119.12 g/mol, XLogP of 0.36, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethynyl-1H-pyridin-2-one is sourced from PubChem (CID 10103156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).