5-methyl-2-methylidene-3H-pyridin-6-one

C7H9NO — CID 157403404

IUPAC5-methyl-2-methylidene-3H-pyridin-6-one
SMILESC=C1CC=C(C)C(=O)N1
InChIInChI=1S/C7H9NO/c1-5-3-4-6(2)8-7(5)9/h3H,2,4H2,1H3,(H,8,9)
InChIKeyOOZLAKNVVMFEBO-UHFFFAOYSA-N
MW123.15 g/mol
LogP0.97
Rot. Bonds

About 5-methyl-2-methylidene-3H-pyridin-6-one

5-methyl-2-methylidene-3H-pyridin-6-one (PubChem CID 157403404) has the molecular formula C7H9NO and a molecular weight of 123.15 g/mol. Its IUPAC name is 5-methyl-2-methylidene-3H-pyridin-6-one.

Molecular Properties

Compound Name5-methyl-2-methylidene-3H-pyridin-6-one
PubChem CID157403404
Molecular FormulaC7H9NO
Molecular Weight123.15 g/mol
Exact Mass123.07
IUPAC Name5-methyl-2-methylidene-3H-pyridin-6-one
SMILESC=C1CC=C(C)C(=O)N1
InChIInChI=1S/C7H9NO/c1-5-3-4-6(2)8-7(5)9/h3H,2,4H2,1H3,(H,8,9)
InChIKeyOOZLAKNVVMFEBO-UHFFFAOYSA-N
XLogP0.97
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.15
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-methylidene-3H-pyridin-6-one?
The IUPAC name of 5-methyl-2-methylidene-3H-pyridin-6-one (CID 157403404) is 5-methyl-2-methylidene-3H-pyridin-6-one.
What is the SMILES notation for 5-methyl-2-methylidene-3H-pyridin-6-one?
The canonical SMILES for 5-methyl-2-methylidene-3H-pyridin-6-one is C=C1CC=C(C)C(=O)N1.
What is the InChIKey of 5-methyl-2-methylidene-3H-pyridin-6-one?
The InChIKey is OOZLAKNVVMFEBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO/c1-5-3-4-6(2)8-7(5)9/h3H,2,4H2,1H3,(H,8,9).
What are the key properties of 5-methyl-2-methylidene-3H-pyridin-6-one?
5-methyl-2-methylidene-3H-pyridin-6-one has a molecular weight of 123.15 g/mol, XLogP of 0.97, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-methylidene-3H-pyridin-6-one is sourced from PubChem (CID 157403404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).