1-ethyl-2-hydroxy-4-methyl-5-(oxomethylidene)-2H-pyridin-6-one

C9H11NO3 — CID 19105485

IUPAC1-ethyl-2-hydroxy-4-methyl-5-(oxomethylidene)-2H-pyridin-6-one
SMILESCCN1C(=O)C(=C=O)C(C)=CC1O
InChIInChI=1S/C9H11NO3/c1-3-10-8(12)4-6(2)7(5-11)9(10)13/h4,8,12H,3H2,1-2H3
InChIKeyGVXBHVRIRJQMHR-UHFFFAOYSA-N
MW181.19 g/mol
LogP-0.13
Rot. Bonds1

About 1-ethyl-2-hydroxy-4-methyl-5-(oxomethylidene)-2H-pyridin-6-one

1-ethyl-2-hydroxy-4-methyl-5-(oxomethylidene)-2H-pyridin-6-one (PubChem CID 19105485) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is 1-ethyl-2-hydroxy-4-methyl-5-(oxomethylidene)-2H-pyridin-6-one.

Molecular Properties

Compound Name1-ethyl-2-hydroxy-4-methyl-5-(oxomethylidene)-2H-pyridin-6-one
PubChem CID19105485
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Name1-ethyl-2-hydroxy-4-methyl-5-(oxomethylidene)-2H-pyridin-6-one
SMILESCCN1C(=O)C(=C=O)C(C)=CC1O
InChIInChI=1S/C9H11NO3/c1-3-10-8(12)4-6(2)7(5-11)9(10)13/h4,8,12H,3H2,1-2H3
InChIKeyGVXBHVRIRJQMHR-UHFFFAOYSA-N
XLogP-0.13
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ketene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-hydroxy-4-methyl-5-(oxomethylidene)-2H-pyridin-6-one?
The IUPAC name of 1-ethyl-2-hydroxy-4-methyl-5-(oxomethylidene)-2H-pyridin-6-one (CID 19105485) is 1-ethyl-2-hydroxy-4-methyl-5-(oxomethylidene)-2H-pyridin-6-one.
What is the SMILES notation for 1-ethyl-2-hydroxy-4-methyl-5-(oxomethylidene)-2H-pyridin-6-one?
The canonical SMILES for 1-ethyl-2-hydroxy-4-methyl-5-(oxomethylidene)-2H-pyridin-6-one is CCN1C(=O)C(=C=O)C(C)=CC1O.
What is the InChIKey of 1-ethyl-2-hydroxy-4-methyl-5-(oxomethylidene)-2H-pyridin-6-one?
The InChIKey is GVXBHVRIRJQMHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c1-3-10-8(12)4-6(2)7(5-11)9(10)13/h4,8,12H,3H2,1-2H3.
What are the key properties of 1-ethyl-2-hydroxy-4-methyl-5-(oxomethylidene)-2H-pyridin-6-one?
1-ethyl-2-hydroxy-4-methyl-5-(oxomethylidene)-2H-pyridin-6-one has a molecular weight of 181.19 g/mol, XLogP of -0.13, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-hydroxy-4-methyl-5-(oxomethylidene)-2H-pyridin-6-one is sourced from PubChem (CID 19105485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).