1-hydroxy-4-methyl-6-(2-naphthalen-1-ylethenyl)pyridin-2-one

C18H15NO2 — CID 54180021

IUPAC1-hydroxy-4-methyl-6-(2-naphthalen-1-ylethenyl)pyridin-2-one
SMILESCc1cc(C=Cc2cccc3ccccc23)n(O)c(=O)c1
InChIInChI=1S/C18H15NO2/c1-13-11-16(19(21)18(20)12-13)10-9-15-7-4-6-14-5-2-3-8-17(14)15/h2-12,21H,1H3
InChIKeyPBDDQMMJYUOXOC-UHFFFAOYSA-N
MW277.32 g/mol
LogP3.72
Rot. Bonds2

About 1-hydroxy-4-methyl-6-(2-naphthalen-1-ylethenyl)pyridin-2-one

1-hydroxy-4-methyl-6-(2-naphthalen-1-ylethenyl)pyridin-2-one (PubChem CID 54180021) has the molecular formula C18H15NO2 and a molecular weight of 277.32 g/mol. Its IUPAC name is 1-hydroxy-4-methyl-6-(2-naphthalen-1-ylethenyl)pyridin-2-one.

Molecular Properties

Compound Name1-hydroxy-4-methyl-6-(2-naphthalen-1-ylethenyl)pyridin-2-one
PubChem CID54180021
Molecular FormulaC18H15NO2
Molecular Weight277.32 g/mol
Exact Mass277.11
IUPAC Name1-hydroxy-4-methyl-6-(2-naphthalen-1-ylethenyl)pyridin-2-one
SMILESCc1cc(C=Cc2cccc3ccccc23)n(O)c(=O)c1
InChIInChI=1S/C18H15NO2/c1-13-11-16(19(21)18(20)12-13)10-9-15-7-4-6-14-5-2-3-8-17(14)15/h2-12,21H,1H3
InChIKeyPBDDQMMJYUOXOC-UHFFFAOYSA-N
XLogP3.72
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-4-methyl-6-(2-naphthalen-1-ylethenyl)pyridin-2-one?
The IUPAC name of 1-hydroxy-4-methyl-6-(2-naphthalen-1-ylethenyl)pyridin-2-one (CID 54180021) is 1-hydroxy-4-methyl-6-(2-naphthalen-1-ylethenyl)pyridin-2-one.
What is the SMILES notation for 1-hydroxy-4-methyl-6-(2-naphthalen-1-ylethenyl)pyridin-2-one?
The canonical SMILES for 1-hydroxy-4-methyl-6-(2-naphthalen-1-ylethenyl)pyridin-2-one is Cc1cc(C=Cc2cccc3ccccc23)n(O)c(=O)c1.
What is the InChIKey of 1-hydroxy-4-methyl-6-(2-naphthalen-1-ylethenyl)pyridin-2-one?
The InChIKey is PBDDQMMJYUOXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO2/c1-13-11-16(19(21)18(20)12-13)10-9-15-7-4-6-14-5-2-3-8-17(14)15/h2-12,21H,1H3.
What are the key properties of 1-hydroxy-4-methyl-6-(2-naphthalen-1-ylethenyl)pyridin-2-one?
1-hydroxy-4-methyl-6-(2-naphthalen-1-ylethenyl)pyridin-2-one has a molecular weight of 277.32 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-4-methyl-6-(2-naphthalen-1-ylethenyl)pyridin-2-one is sourced from PubChem (CID 54180021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).