3,6-bis(prop-2-enyl)-1H-pyridin-2-one

C11H13NO — CID 70129518

IUPAC3,6-bis(prop-2-enyl)-1H-pyridin-2-one
SMILESC=CCc1ccc(CC=C)c(=O)[nH]1
InChIInChI=1S/C11H13NO/c1-3-5-9-7-8-10(6-4-2)12-11(9)13/h3-4,7-8H,1-2,5-6H2,(H,12,13)
InChIKeyQPMYNHRKPROTIX-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.83
Rot. Bonds4

About 3,6-bis(prop-2-enyl)-1H-pyridin-2-one

3,6-bis(prop-2-enyl)-1H-pyridin-2-one (PubChem CID 70129518) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 3,6-bis(prop-2-enyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3,6-bis(prop-2-enyl)-1H-pyridin-2-one
PubChem CID70129518
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name3,6-bis(prop-2-enyl)-1H-pyridin-2-one
SMILESC=CCc1ccc(CC=C)c(=O)[nH]1
InChIInChI=1S/C11H13NO/c1-3-5-9-7-8-10(6-4-2)12-11(9)13/h3-4,7-8H,1-2,5-6H2,(H,12,13)
InChIKeyQPMYNHRKPROTIX-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 3,6-bis(prop-2-enyl)-1H-pyridin-2-one?
The IUPAC name of 3,6-bis(prop-2-enyl)-1H-pyridin-2-one (CID 70129518) is 3,6-bis(prop-2-enyl)-1H-pyridin-2-one.
What is the SMILES notation for 3,6-bis(prop-2-enyl)-1H-pyridin-2-one?
The canonical SMILES for 3,6-bis(prop-2-enyl)-1H-pyridin-2-one is C=CCc1ccc(CC=C)c(=O)[nH]1.
What is the InChIKey of 3,6-bis(prop-2-enyl)-1H-pyridin-2-one?
The InChIKey is QPMYNHRKPROTIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c1-3-5-9-7-8-10(6-4-2)12-11(9)13/h3-4,7-8H,1-2,5-6H2,(H,12,13).
What are the key properties of 3,6-bis(prop-2-enyl)-1H-pyridin-2-one?
3,6-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 3,6-bis(prop-2-enyl)-1H-pyridin-2-one is sourced from PubChem (CID 70129518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).