5-prop-2-enyl-1H-pyridin-2-one

C8H9NO — CID 142063210

IUPAC5-prop-2-enyl-1H-pyridin-2-one
SMILESC=CCc1ccc(=O)[nH]c1
InChIInChI=1S/C8H9NO/c1-2-3-7-4-5-8(10)9-6-7/h2,4-6H,1,3H2,(H,9,10)
InChIKeyPGQOSZQAHLYCRT-UHFFFAOYSA-N
MW135.17 g/mol
LogP1.10
Rot. Bonds2

About 5-prop-2-enyl-1H-pyridin-2-one

5-prop-2-enyl-1H-pyridin-2-one (PubChem CID 142063210) has the molecular formula C8H9NO and a molecular weight of 135.17 g/mol. Its IUPAC name is 5-prop-2-enyl-1H-pyridin-2-one.

Molecular Properties

Compound Name5-prop-2-enyl-1H-pyridin-2-one
PubChem CID142063210
Molecular FormulaC8H9NO
Molecular Weight135.17 g/mol
Exact Mass135.07
IUPAC Name5-prop-2-enyl-1H-pyridin-2-one
SMILESC=CCc1ccc(=O)[nH]c1
InChIInChI=1S/C8H9NO/c1-2-3-7-4-5-8(10)9-6-7/h2,4-6H,1,3H2,(H,9,10)
InChIKeyPGQOSZQAHLYCRT-UHFFFAOYSA-N
XLogP1.10
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.17
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-prop-2-enyl-1H-pyridin-2-one?
The IUPAC name of 5-prop-2-enyl-1H-pyridin-2-one (CID 142063210) is 5-prop-2-enyl-1H-pyridin-2-one.
What is the SMILES notation for 5-prop-2-enyl-1H-pyridin-2-one?
The canonical SMILES for 5-prop-2-enyl-1H-pyridin-2-one is C=CCc1ccc(=O)[nH]c1.
What is the InChIKey of 5-prop-2-enyl-1H-pyridin-2-one?
The InChIKey is PGQOSZQAHLYCRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO/c1-2-3-7-4-5-8(10)9-6-7/h2,4-6H,1,3H2,(H,9,10).
What are the key properties of 5-prop-2-enyl-1H-pyridin-2-one?
5-prop-2-enyl-1H-pyridin-2-one has a molecular weight of 135.17 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-prop-2-enyl-1H-pyridin-2-one is sourced from PubChem (CID 142063210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).