3-methyl-1-(2-methylprop-2-enyl)pyridin-4-one

C10H13NO — CID 130577019

IUPAC3-methyl-1-(2-methylprop-2-enyl)pyridin-4-one
SMILESC=C(C)Cn1ccc(=O)c(C)c1
InChIInChI=1S/C10H13NO/c1-8(2)6-11-5-4-10(12)9(3)7-11/h4-5,7H,1,6H2,2-3H3
InChIKeyKSWYUXGOSMRAAY-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.73
Rot. Bonds2

About 3-methyl-1-(2-methylprop-2-enyl)pyridin-4-one

3-methyl-1-(2-methylprop-2-enyl)pyridin-4-one (PubChem CID 130577019) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 3-methyl-1-(2-methylprop-2-enyl)pyridin-4-one.

Molecular Properties

Compound Name3-methyl-1-(2-methylprop-2-enyl)pyridin-4-one
PubChem CID130577019
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name3-methyl-1-(2-methylprop-2-enyl)pyridin-4-one
SMILESC=C(C)Cn1ccc(=O)c(C)c1
InChIInChI=1S/C10H13NO/c1-8(2)6-11-5-4-10(12)9(3)7-11/h4-5,7H,1,6H2,2-3H3
InChIKeyKSWYUXGOSMRAAY-UHFFFAOYSA-N
XLogP1.73
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-methyl-1-(2-methylprop-2-enyl)pyridin-4-one?
The IUPAC name of 3-methyl-1-(2-methylprop-2-enyl)pyridin-4-one (CID 130577019) is 3-methyl-1-(2-methylprop-2-enyl)pyridin-4-one.
What is the SMILES notation for 3-methyl-1-(2-methylprop-2-enyl)pyridin-4-one?
The canonical SMILES for 3-methyl-1-(2-methylprop-2-enyl)pyridin-4-one is C=C(C)Cn1ccc(=O)c(C)c1.
What is the InChIKey of 3-methyl-1-(2-methylprop-2-enyl)pyridin-4-one?
The InChIKey is KSWYUXGOSMRAAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-8(2)6-11-5-4-10(12)9(3)7-11/h4-5,7H,1,6H2,2-3H3.
What are the key properties of 3-methyl-1-(2-methylprop-2-enyl)pyridin-4-one?
3-methyl-1-(2-methylprop-2-enyl)pyridin-4-one has a molecular weight of 163.22 g/mol, XLogP of 1.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-methylprop-2-enyl)pyridin-4-one is sourced from PubChem (CID 130577019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).