1-(4-prop-1-en-2-yl-2-pyridinyl)ethanone

C10H11NO — CID 529344

IUPAC1-(4-prop-1-en-2-yl-2-pyridinyl)ethanone
SMILESC=C(C)c1ccnc(C(C)=O)c1
InChIInChI=1S/C10H11NO/c1-7(2)9-4-5-11-10(6-9)8(3)12/h4-6H,1H2,2-3H3
InChIKeyQGALSOGFUDWZMF-UHFFFAOYSA-N
MW161.20 g/mol
LogP2.32
Rot. Bonds2

About 1-(4-prop-1-en-2-yl-2-pyridinyl)ethanone

1-(4-prop-1-en-2-yl-2-pyridinyl)ethanone (PubChem CID 529344) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is 1-(4-prop-1-en-2-yl-2-pyridinyl)ethanone.

Molecular Properties

Compound Name1-(4-prop-1-en-2-yl-2-pyridinyl)ethanone
PubChem CID529344
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC Name1-(4-prop-1-en-2-yl-2-pyridinyl)ethanone
SMILESC=C(C)c1ccnc(C(C)=O)c1
InChIInChI=1S/C10H11NO/c1-7(2)9-4-5-11-10(6-9)8(3)12/h4-6H,1H2,2-3H3
InChIKeyQGALSOGFUDWZMF-UHFFFAOYSA-N
XLogP2.32
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(4-prop-1-en-2-yl-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-(4-prop-1-en-2-yl-2-pyridinyl)ethanone?
The IUPAC name of 1-(4-prop-1-en-2-yl-2-pyridinyl)ethanone (CID 529344) is 1-(4-prop-1-en-2-yl-2-pyridinyl)ethanone.
What is the SMILES notation for 1-(4-prop-1-en-2-yl-2-pyridinyl)ethanone?
The canonical SMILES for 1-(4-prop-1-en-2-yl-2-pyridinyl)ethanone is C=C(C)c1ccnc(C(C)=O)c1.
What is the InChIKey of 1-(4-prop-1-en-2-yl-2-pyridinyl)ethanone?
The InChIKey is QGALSOGFUDWZMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO/c1-7(2)9-4-5-11-10(6-9)8(3)12/h4-6H,1H2,2-3H3.
What are the key properties of 1-(4-prop-1-en-2-yl-2-pyridinyl)ethanone?
1-(4-prop-1-en-2-yl-2-pyridinyl)ethanone has a molecular weight of 161.20 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-prop-1-en-2-yl-2-pyridinyl)ethanone is sourced from PubChem (CID 529344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).