2-methyl-3-prop-1-enyl-1H-pyridin-4-one

C9H11NO — CID 123883259

IUPAC2-methyl-3-prop-1-enyl-1H-pyridin-4-one
SMILESCC=Cc1c(C)[nH]ccc1=O
InChIInChI=1S/C9H11NO/c1-3-4-8-7(2)10-6-5-9(8)11/h3-6H,1-2H3,(H,10,11)
InChIKeyHSOAONNNAIQTCU-UHFFFAOYSA-N
MW149.19 g/mol
LogP1.72
Rot. Bonds1

About 2-methyl-3-prop-1-enyl-1H-pyridin-4-one

2-methyl-3-prop-1-enyl-1H-pyridin-4-one (PubChem CID 123883259) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is 2-methyl-3-prop-1-enyl-1H-pyridin-4-one.

Molecular Properties

Compound Name2-methyl-3-prop-1-enyl-1H-pyridin-4-one
PubChem CID123883259
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name2-methyl-3-prop-1-enyl-1H-pyridin-4-one
SMILESCC=Cc1c(C)[nH]ccc1=O
InChIInChI=1S/C9H11NO/c1-3-4-8-7(2)10-6-5-9(8)11/h3-6H,1-2H3,(H,10,11)
InChIKeyHSOAONNNAIQTCU-UHFFFAOYSA-N
XLogP1.72
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-prop-1-enyl-1H-pyridin-4-one?
The IUPAC name of 2-methyl-3-prop-1-enyl-1H-pyridin-4-one (CID 123883259) is 2-methyl-3-prop-1-enyl-1H-pyridin-4-one.
What is the SMILES notation for 2-methyl-3-prop-1-enyl-1H-pyridin-4-one?
The canonical SMILES for 2-methyl-3-prop-1-enyl-1H-pyridin-4-one is CC=Cc1c(C)[nH]ccc1=O.
What is the InChIKey of 2-methyl-3-prop-1-enyl-1H-pyridin-4-one?
The InChIKey is HSOAONNNAIQTCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO/c1-3-4-8-7(2)10-6-5-9(8)11/h3-6H,1-2H3,(H,10,11).
What are the key properties of 2-methyl-3-prop-1-enyl-1H-pyridin-4-one?
2-methyl-3-prop-1-enyl-1H-pyridin-4-one has a molecular weight of 149.19 g/mol, XLogP of 1.72, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-prop-1-enyl-1H-pyridin-4-one is sourced from PubChem (CID 123883259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).