1-prop-2-enyl-4H-pyridine-2,3-dione

C8H9NO2 — CID 67863893

IUPAC1-prop-2-enyl-4H-pyridine-2,3-dione
SMILESC=CCN1C=CCC(=O)C1=O
InChIInChI=1S/C8H9NO2/c1-2-5-9-6-3-4-7(10)8(9)11/h2-3,6H,1,4-5H2
InChIKeyJIBAIUUARPYDST-UHFFFAOYSA-N
MW151.16 g/mol
LogP0.49
Rot. Bonds2

About 1-prop-2-enyl-4H-pyridine-2,3-dione

1-prop-2-enyl-4H-pyridine-2,3-dione (PubChem CID 67863893) has the molecular formula C8H9NO2 and a molecular weight of 151.16 g/mol. Its IUPAC name is 1-prop-2-enyl-4H-pyridine-2,3-dione.

Molecular Properties

Compound Name1-prop-2-enyl-4H-pyridine-2,3-dione
PubChem CID67863893
Molecular FormulaC8H9NO2
Molecular Weight151.16 g/mol
Exact Mass151.06
IUPAC Name1-prop-2-enyl-4H-pyridine-2,3-dione
SMILESC=CCN1C=CCC(=O)C1=O
InChIInChI=1S/C8H9NO2/c1-2-5-9-6-3-4-7(10)8(9)11/h2-3,6H,1,4-5H2
InChIKeyJIBAIUUARPYDST-UHFFFAOYSA-N
XLogP0.49
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enyl-4H-pyridine-2,3-dione?
The IUPAC name of 1-prop-2-enyl-4H-pyridine-2,3-dione (CID 67863893) is 1-prop-2-enyl-4H-pyridine-2,3-dione.
What is the SMILES notation for 1-prop-2-enyl-4H-pyridine-2,3-dione?
The canonical SMILES for 1-prop-2-enyl-4H-pyridine-2,3-dione is C=CCN1C=CCC(=O)C1=O.
What is the InChIKey of 1-prop-2-enyl-4H-pyridine-2,3-dione?
The InChIKey is JIBAIUUARPYDST-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2/c1-2-5-9-6-3-4-7(10)8(9)11/h2-3,6H,1,4-5H2.
What are the key properties of 1-prop-2-enyl-4H-pyridine-2,3-dione?
1-prop-2-enyl-4H-pyridine-2,3-dione has a molecular weight of 151.16 g/mol, XLogP of 0.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enyl-4H-pyridine-2,3-dione is sourced from PubChem (CID 67863893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).