1-(6-prop-1-ynyl-2-pyridinyl)ethanone

C10H9NO — CID 155273358

IUPAC1-(6-prop-1-ynyl-2-pyridinyl)ethanone
SMILESCC#Cc1cccc(C(C)=O)n1
InChIInChI=1S/C10H9NO/c1-3-5-9-6-4-7-10(11-9)8(2)12/h4,6-7H,1-2H3
InChIKeyNAELVFCFAGEAOM-UHFFFAOYSA-N
MW159.19 g/mol
LogP1.66
Rot. Bonds1

About 1-(6-prop-1-ynyl-2-pyridinyl)ethanone

1-(6-prop-1-ynyl-2-pyridinyl)ethanone (PubChem CID 155273358) has the molecular formula C10H9NO and a molecular weight of 159.19 g/mol. Its IUPAC name is 1-(6-prop-1-ynyl-2-pyridinyl)ethanone.

Molecular Properties

Compound Name1-(6-prop-1-ynyl-2-pyridinyl)ethanone
PubChem CID155273358
Molecular FormulaC10H9NO
Molecular Weight159.19 g/mol
Exact Mass159.07
IUPAC Name1-(6-prop-1-ynyl-2-pyridinyl)ethanone
SMILESCC#Cc1cccc(C(C)=O)n1
InChIInChI=1S/C10H9NO/c1-3-5-9-6-4-7-10(11-9)8(2)12/h4,6-7H,1-2H3
InChIKeyNAELVFCFAGEAOM-UHFFFAOYSA-N
XLogP1.66
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(6-prop-1-ynyl-2-pyridinyl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(6-prop-1-ynyl-2-pyridinyl)ethanone?
The IUPAC name of 1-(6-prop-1-ynyl-2-pyridinyl)ethanone (CID 155273358) is 1-(6-prop-1-ynyl-2-pyridinyl)ethanone.
What is the SMILES notation for 1-(6-prop-1-ynyl-2-pyridinyl)ethanone?
The canonical SMILES for 1-(6-prop-1-ynyl-2-pyridinyl)ethanone is CC#Cc1cccc(C(C)=O)n1.
What is the InChIKey of 1-(6-prop-1-ynyl-2-pyridinyl)ethanone?
The InChIKey is NAELVFCFAGEAOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO/c1-3-5-9-6-4-7-10(11-9)8(2)12/h4,6-7H,1-2H3.
What are the key properties of 1-(6-prop-1-ynyl-2-pyridinyl)ethanone?
1-(6-prop-1-ynyl-2-pyridinyl)ethanone has a molecular weight of 159.19 g/mol, XLogP of 1.66, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-prop-1-ynyl-2-pyridinyl)ethanone is sourced from PubChem (CID 155273358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).