4,6-bis(prop-2-enyl)-1H-pyridin-2-one

C11H13NO — CID 70518729

IUPAC4,6-bis(prop-2-enyl)-1H-pyridin-2-one
SMILESC=CCc1cc(CC=C)[nH]c(=O)c1
InChIInChI=1S/C11H13NO/c1-3-5-9-7-10(6-4-2)12-11(13)8-9/h3-4,7-8H,1-2,5-6H2,(H,12,13)
InChIKeyYBULBFHTYINTAT-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.83
Rot. Bonds4

About 4,6-bis(prop-2-enyl)-1H-pyridin-2-one

4,6-bis(prop-2-enyl)-1H-pyridin-2-one (PubChem CID 70518729) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 4,6-bis(prop-2-enyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name4,6-bis(prop-2-enyl)-1H-pyridin-2-one
PubChem CID70518729
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name4,6-bis(prop-2-enyl)-1H-pyridin-2-one
SMILESC=CCc1cc(CC=C)[nH]c(=O)c1
InChIInChI=1S/C11H13NO/c1-3-5-9-7-10(6-4-2)12-11(13)8-9/h3-4,7-8H,1-2,5-6H2,(H,12,13)
InChIKeyYBULBFHTYINTAT-UHFFFAOYSA-N
XLogP1.83
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.83
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 4,6-bis(prop-2-enyl)-1H-pyridin-2-one?
The IUPAC name of 4,6-bis(prop-2-enyl)-1H-pyridin-2-one (CID 70518729) is 4,6-bis(prop-2-enyl)-1H-pyridin-2-one.
What is the SMILES notation for 4,6-bis(prop-2-enyl)-1H-pyridin-2-one?
The canonical SMILES for 4,6-bis(prop-2-enyl)-1H-pyridin-2-one is C=CCc1cc(CC=C)[nH]c(=O)c1.
What is the InChIKey of 4,6-bis(prop-2-enyl)-1H-pyridin-2-one?
The InChIKey is YBULBFHTYINTAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c1-3-5-9-7-10(6-4-2)12-11(13)8-9/h3-4,7-8H,1-2,5-6H2,(H,12,13).
What are the key properties of 4,6-bis(prop-2-enyl)-1H-pyridin-2-one?
4,6-bis(prop-2-enyl)-1H-pyridin-2-one has a molecular weight of 175.23 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis(prop-2-enyl)-1H-pyridin-2-one is sourced from PubChem (CID 70518729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).