3-(benzyliminomethyl)-4-hydroxy-6-methyl-1H-pyridin-2-one

C14H14N2O2 — CID 136711770

IUPAC3-(benzyliminomethyl)-4-hydroxy-6-methyl-1H-pyridin-2-one
SMILESCc1cc(O)c(/C=N/Cc2ccccc2)c(=O)[nH]1
InChIInChI=1S/C14H14N2O2/c1-10-7-13(17)12(14(18)16-10)9-15-8-11-5-3-2-4-6-11/h2-7,9H,8H2,1H3,(H2,16,17,18)/b15-9+
InChIKeyPJFBNVSRYQIPPG-OQLLNIDSSA-N
MW242.28 g/mol
LogP2.01
Rot. Bonds3

About 3-(benzyliminomethyl)-4-hydroxy-6-methyl-1H-pyridin-2-one

3-(benzyliminomethyl)-4-hydroxy-6-methyl-1H-pyridin-2-one (PubChem CID 136711770) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 3-(benzyliminomethyl)-4-hydroxy-6-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(benzyliminomethyl)-4-hydroxy-6-methyl-1H-pyridin-2-one
PubChem CID136711770
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name3-(benzyliminomethyl)-4-hydroxy-6-methyl-1H-pyridin-2-one
SMILESCc1cc(O)c(/C=N/Cc2ccccc2)c(=O)[nH]1
InChIInChI=1S/C14H14N2O2/c1-10-7-13(17)12(14(18)16-10)9-15-8-11-5-3-2-4-6-11/h2-7,9H,8H2,1H3,(H2,16,17,18)/b15-9+
InChIKeyPJFBNVSRYQIPPG-OQLLNIDSSA-N
XLogP2.01
TPSA65.45 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(benzyliminomethyl)-4-hydroxy-6-methyl-1H-pyridin-2-one?
The IUPAC name of 3-(benzyliminomethyl)-4-hydroxy-6-methyl-1H-pyridin-2-one (CID 136711770) is 3-(benzyliminomethyl)-4-hydroxy-6-methyl-1H-pyridin-2-one.
What is the SMILES notation for 3-(benzyliminomethyl)-4-hydroxy-6-methyl-1H-pyridin-2-one?
The canonical SMILES for 3-(benzyliminomethyl)-4-hydroxy-6-methyl-1H-pyridin-2-one is Cc1cc(O)c(/C=N/Cc2ccccc2)c(=O)[nH]1.
What is the InChIKey of 3-(benzyliminomethyl)-4-hydroxy-6-methyl-1H-pyridin-2-one?
The InChIKey is PJFBNVSRYQIPPG-OQLLNIDSSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-10-7-13(17)12(14(18)16-10)9-15-8-11-5-3-2-4-6-11/h2-7,9H,8H2,1H3,(H2,16,17,18)/b15-9+.
What are the key properties of 3-(benzyliminomethyl)-4-hydroxy-6-methyl-1H-pyridin-2-one?
3-(benzyliminomethyl)-4-hydroxy-6-methyl-1H-pyridin-2-one has a molecular weight of 242.28 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzyliminomethyl)-4-hydroxy-6-methyl-1H-pyridin-2-one is sourced from PubChem (CID 136711770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).