1,6-bis(2-methylprop-2-enyl)pyridin-2-one

C13H17NO — CID 122202827

IUPAC1,6-bis(2-methylprop-2-enyl)pyridin-2-one
SMILESC=C(C)Cc1cccc(=O)n1CC(=C)C
InChIInChI=1S/C13H17NO/c1-10(2)8-12-6-5-7-13(15)14(12)9-11(3)4/h5-7H,1,3,8-9H2,2,4H3
InChIKeyWXTBTDXAVXGJOV-UHFFFAOYSA-N
MW203.28 g/mol
LogP2.54
Rot. Bonds4

About 1,6-bis(2-methylprop-2-enyl)pyridin-2-one

1,6-bis(2-methylprop-2-enyl)pyridin-2-one (PubChem CID 122202827) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is 1,6-bis(2-methylprop-2-enyl)pyridin-2-one.

Molecular Properties

Compound Name1,6-bis(2-methylprop-2-enyl)pyridin-2-one
PubChem CID122202827
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name1,6-bis(2-methylprop-2-enyl)pyridin-2-one
SMILESC=C(C)Cc1cccc(=O)n1CC(=C)C
InChIInChI=1S/C13H17NO/c1-10(2)8-12-6-5-7-13(15)14(12)9-11(3)4/h5-7H,1,3,8-9H2,2,4H3
InChIKeyWXTBTDXAVXGJOV-UHFFFAOYSA-N
XLogP2.54
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1,6-bis(2-methylprop-2-enyl)pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,6-bis(2-methylprop-2-enyl)pyridin-2-one?
The IUPAC name of 1,6-bis(2-methylprop-2-enyl)pyridin-2-one (CID 122202827) is 1,6-bis(2-methylprop-2-enyl)pyridin-2-one.
What is the SMILES notation for 1,6-bis(2-methylprop-2-enyl)pyridin-2-one?
The canonical SMILES for 1,6-bis(2-methylprop-2-enyl)pyridin-2-one is C=C(C)Cc1cccc(=O)n1CC(=C)C.
What is the InChIKey of 1,6-bis(2-methylprop-2-enyl)pyridin-2-one?
The InChIKey is WXTBTDXAVXGJOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-10(2)8-12-6-5-7-13(15)14(12)9-11(3)4/h5-7H,1,3,8-9H2,2,4H3.
What are the key properties of 1,6-bis(2-methylprop-2-enyl)pyridin-2-one?
1,6-bis(2-methylprop-2-enyl)pyridin-2-one has a molecular weight of 203.28 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-bis(2-methylprop-2-enyl)pyridin-2-one is sourced from PubChem (CID 122202827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).