4-methyl-5-(2-methylbut-3-en-2-yl)-1H-pyridin-2-one

C11H15NO — CID 123602410

IUPAC4-methyl-5-(2-methylbut-3-en-2-yl)-1H-pyridin-2-one
SMILESC=CC(C)(C)c1c[nH]c(=O)cc1C
InChIInChI=1S/C11H15NO/c1-5-11(3,4)9-7-12-10(13)6-8(9)2/h5-7H,1H2,2-4H3,(H,12,13)
InChIKeyMYNYTRAAACSCAJ-UHFFFAOYSA-N
MW177.25 g/mol
LogP2.15
Rot. Bonds2

About 4-methyl-5-(2-methylbut-3-en-2-yl)-1H-pyridin-2-one

4-methyl-5-(2-methylbut-3-en-2-yl)-1H-pyridin-2-one (PubChem CID 123602410) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 4-methyl-5-(2-methylbut-3-en-2-yl)-1H-pyridin-2-one.

Molecular Properties

Compound Name4-methyl-5-(2-methylbut-3-en-2-yl)-1H-pyridin-2-one
PubChem CID123602410
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name4-methyl-5-(2-methylbut-3-en-2-yl)-1H-pyridin-2-one
SMILESC=CC(C)(C)c1c[nH]c(=O)cc1C
InChIInChI=1S/C11H15NO/c1-5-11(3,4)9-7-12-10(13)6-8(9)2/h5-7H,1H2,2-4H3,(H,12,13)
InChIKeyMYNYTRAAACSCAJ-UHFFFAOYSA-N
XLogP2.15
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.15
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-methyl-5-(2-methylbut-3-en-2-yl)-1H-pyridin-2-one?
The IUPAC name of 4-methyl-5-(2-methylbut-3-en-2-yl)-1H-pyridin-2-one (CID 123602410) is 4-methyl-5-(2-methylbut-3-en-2-yl)-1H-pyridin-2-one.
What is the SMILES notation for 4-methyl-5-(2-methylbut-3-en-2-yl)-1H-pyridin-2-one?
The canonical SMILES for 4-methyl-5-(2-methylbut-3-en-2-yl)-1H-pyridin-2-one is C=CC(C)(C)c1c[nH]c(=O)cc1C.
What is the InChIKey of 4-methyl-5-(2-methylbut-3-en-2-yl)-1H-pyridin-2-one?
The InChIKey is MYNYTRAAACSCAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-5-11(3,4)9-7-12-10(13)6-8(9)2/h5-7H,1H2,2-4H3,(H,12,13).
What are the key properties of 4-methyl-5-(2-methylbut-3-en-2-yl)-1H-pyridin-2-one?
4-methyl-5-(2-methylbut-3-en-2-yl)-1H-pyridin-2-one has a molecular weight of 177.25 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(2-methylbut-3-en-2-yl)-1H-pyridin-2-one is sourced from PubChem (CID 123602410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).