5-methylidenepyridin-2-one

C6H5NO — CID 74059266

IUPAC5-methylidenepyridin-2-one
SMILESC=C1C=CC(=O)N=C1
InChIInChI=1S/C6H5NO/c1-5-2-3-6(8)7-4-5/h2-4H,1H2
InChIKeyGYVRVHNNUKTCLZ-UHFFFAOYSA-N
MW107.11 g/mol
LogP0.71
Rot. Bonds

About 5-methylidenepyridin-2-one

5-methylidenepyridin-2-one (PubChem CID 74059266) has the molecular formula C6H5NO and a molecular weight of 107.11 g/mol. Its IUPAC name is 5-methylidenepyridin-2-one.

Molecular Properties

Compound Name5-methylidenepyridin-2-one
PubChem CID74059266
Molecular FormulaC6H5NO
Molecular Weight107.11 g/mol
Exact Mass107.04
IUPAC Name5-methylidenepyridin-2-one
SMILESC=C1C=CC(=O)N=C1
InChIInChI=1S/C6H5NO/c1-5-2-3-6(8)7-4-5/h2-4H,1H2
InChIKeyGYVRVHNNUKTCLZ-UHFFFAOYSA-N
XLogP0.71
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.11
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-Benzazepin-2-one
CID 19092219
8-Oxopyrido[2,3-b]azepine
CID 54484510
Carbonyl pyridone
CID 77520314
3-Carbonyl-pyridine
CID 87556379
2(5H)-Pyridinone
CID 20801464
10aH-2-benzazocin-3-one
CID 123396627
Isoquinoline-3,7-dione
CID 129872515
Cyclohepta[c]pyridin-1-one
CID 132279945
2-Oxo-4-vinylpyrrole
CID 172433115
5-Fluoro-3-methylidenepyridin-2-one
CID 72664331
5-(Difluoromethylidene)pyridin-2-one
CID 156594966
Pyrrolo[2,3-b]pyridin-6-one
CID 18323804

Frequently Asked Questions

What is the IUPAC name of 5-methylidenepyridin-2-one?
The IUPAC name of 5-methylidenepyridin-2-one (CID 74059266) is 5-methylidenepyridin-2-one.
What is the SMILES notation for 5-methylidenepyridin-2-one?
The canonical SMILES for 5-methylidenepyridin-2-one is C=C1C=CC(=O)N=C1.
What is the InChIKey of 5-methylidenepyridin-2-one?
The InChIKey is GYVRVHNNUKTCLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5NO/c1-5-2-3-6(8)7-4-5/h2-4H,1H2.
What are the key properties of 5-methylidenepyridin-2-one?
5-methylidenepyridin-2-one has a molecular weight of 107.11 g/mol, XLogP of 0.71, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylidenepyridin-2-one is sourced from PubChem (CID 74059266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).