3-[(E)-prop-1-enyl]-1H-pyridin-2-one

C8H9NO — CID 91565194

IUPAC3-[(E)-prop-1-enyl]-1H-pyridin-2-one
SMILESC/C=C/c1ccc[nH]c1=O
InChIInChI=1S/C8H9NO/c1-2-4-7-5-3-6-9-8(7)10/h2-6H,1H3,(H,9,10)/b4-2+
InChIKeyZYJRFLOXEXPGBP-DUXPYHPUSA-N
MW135.17 g/mol
LogP1.41
Rot. Bonds1

About 3-[(E)-prop-1-enyl]-1H-pyridin-2-one

3-[(E)-prop-1-enyl]-1H-pyridin-2-one (PubChem CID 91565194) has the molecular formula C8H9NO and a molecular weight of 135.17 g/mol. Its IUPAC name is 3-[(E)-prop-1-enyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[(E)-prop-1-enyl]-1H-pyridin-2-one
PubChem CID91565194
Molecular FormulaC8H9NO
Molecular Weight135.17 g/mol
Exact Mass135.07
IUPAC Name3-[(E)-prop-1-enyl]-1H-pyridin-2-one
SMILESC/C=C/c1ccc[nH]c1=O
InChIInChI=1S/C8H9NO/c1-2-4-7-5-3-6-9-8(7)10/h2-6H,1H3,(H,9,10)/b4-2+
InChIKeyZYJRFLOXEXPGBP-DUXPYHPUSA-N
XLogP1.41
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.17
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-prop-1-enyl]-1H-pyridin-2-one?
The IUPAC name of 3-[(E)-prop-1-enyl]-1H-pyridin-2-one (CID 91565194) is 3-[(E)-prop-1-enyl]-1H-pyridin-2-one.
What is the SMILES notation for 3-[(E)-prop-1-enyl]-1H-pyridin-2-one?
The canonical SMILES for 3-[(E)-prop-1-enyl]-1H-pyridin-2-one is C/C=C/c1ccc[nH]c1=O.
What is the InChIKey of 3-[(E)-prop-1-enyl]-1H-pyridin-2-one?
The InChIKey is ZYJRFLOXEXPGBP-DUXPYHPUSA-N. The full InChI is InChI=1S/C8H9NO/c1-2-4-7-5-3-6-9-8(7)10/h2-6H,1H3,(H,9,10)/b4-2+.
What are the key properties of 3-[(E)-prop-1-enyl]-1H-pyridin-2-one?
3-[(E)-prop-1-enyl]-1H-pyridin-2-one has a molecular weight of 135.17 g/mol, XLogP of 1.41, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-prop-1-enyl]-1H-pyridin-2-one is sourced from PubChem (CID 91565194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).