3-propoxy-1H-pyridin-2-one

C8H11NO2 — CID 51713268

IUPAC3-propoxy-1H-pyridin-2-one
SMILESCCCOc1ccc[nH]c1=O
InChIInChI=1S/C8H11NO2/c1-2-6-11-7-4-3-5-9-8(7)10/h3-5H,2,6H2,1H3,(H,9,10)
InChIKeySKOWOPLMWYNEJP-UHFFFAOYSA-N
MW153.18 g/mol
LogP1.16
Rot. Bonds3

About 3-propoxy-1H-pyridin-2-one

3-propoxy-1H-pyridin-2-one (PubChem CID 51713268) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is 3-propoxy-1H-pyridin-2-one.

Molecular Properties

Compound Name3-propoxy-1H-pyridin-2-one
PubChem CID51713268
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name3-propoxy-1H-pyridin-2-one
SMILESCCCOc1ccc[nH]c1=O
InChIInChI=1S/C8H11NO2/c1-2-6-11-7-4-3-5-9-8(7)10/h3-5H,2,6H2,1H3,(H,9,10)
InChIKeySKOWOPLMWYNEJP-UHFFFAOYSA-N
XLogP1.16
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-propoxy-1H-pyridin-2-one?
The IUPAC name of 3-propoxy-1H-pyridin-2-one (CID 51713268) is 3-propoxy-1H-pyridin-2-one.
What is the SMILES notation for 3-propoxy-1H-pyridin-2-one?
The canonical SMILES for 3-propoxy-1H-pyridin-2-one is CCCOc1ccc[nH]c1=O.
What is the InChIKey of 3-propoxy-1H-pyridin-2-one?
The InChIKey is SKOWOPLMWYNEJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c1-2-6-11-7-4-3-5-9-8(7)10/h3-5H,2,6H2,1H3,(H,9,10).
What are the key properties of 3-propoxy-1H-pyridin-2-one?
3-propoxy-1H-pyridin-2-one has a molecular weight of 153.18 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propoxy-1H-pyridin-2-one is sourced from PubChem (CID 51713268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).