4-(2-hydroxyethoxy)-6-methyl-1H-pyridin-2-one

C8H11NO3 — CID 119083997

IUPAC4-(2-hydroxyethoxy)-6-methyl-1H-pyridin-2-one
SMILESCc1cc(OCCO)cc(=O)[nH]1
InChIInChI=1S/C8H11NO3/c1-6-4-7(12-3-2-10)5-8(11)9-6/h4-5,10H,2-3H2,1H3,(H,9,11)
InChIKeyOXHBDXGYXNYTOU-UHFFFAOYSA-N
MW169.18 g/mol
LogP0.05
Rot. Bonds3

About 4-(2-hydroxyethoxy)-6-methyl-1H-pyridin-2-one

4-(2-hydroxyethoxy)-6-methyl-1H-pyridin-2-one (PubChem CID 119083997) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is 4-(2-hydroxyethoxy)-6-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(2-hydroxyethoxy)-6-methyl-1H-pyridin-2-one
PubChem CID119083997
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC Name4-(2-hydroxyethoxy)-6-methyl-1H-pyridin-2-one
SMILESCc1cc(OCCO)cc(=O)[nH]1
InChIInChI=1S/C8H11NO3/c1-6-4-7(12-3-2-10)5-8(11)9-6/h4-5,10H,2-3H2,1H3,(H,9,11)
InChIKeyOXHBDXGYXNYTOU-UHFFFAOYSA-N
XLogP0.05
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyethoxy)-6-methyl-1H-pyridin-2-one?
The IUPAC name of 4-(2-hydroxyethoxy)-6-methyl-1H-pyridin-2-one (CID 119083997) is 4-(2-hydroxyethoxy)-6-methyl-1H-pyridin-2-one.
What is the SMILES notation for 4-(2-hydroxyethoxy)-6-methyl-1H-pyridin-2-one?
The canonical SMILES for 4-(2-hydroxyethoxy)-6-methyl-1H-pyridin-2-one is Cc1cc(OCCO)cc(=O)[nH]1.
What is the InChIKey of 4-(2-hydroxyethoxy)-6-methyl-1H-pyridin-2-one?
The InChIKey is OXHBDXGYXNYTOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3/c1-6-4-7(12-3-2-10)5-8(11)9-6/h4-5,10H,2-3H2,1H3,(H,9,11).
What are the key properties of 4-(2-hydroxyethoxy)-6-methyl-1H-pyridin-2-one?
4-(2-hydroxyethoxy)-6-methyl-1H-pyridin-2-one has a molecular weight of 169.18 g/mol, XLogP of 0.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethoxy)-6-methyl-1H-pyridin-2-one is sourced from PubChem (CID 119083997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).