3-(3-methoxypropoxy)-1H-pyridin-2-one

C9H13NO3 — CID 89135377

IUPAC3-(3-methoxypropoxy)-1H-pyridin-2-one
SMILESCOCCCOc1ccc[nH]c1=O
InChIInChI=1S/C9H13NO3/c1-12-6-3-7-13-8-4-2-5-10-9(8)11/h2,4-5H,3,6-7H2,1H3,(H,10,11)
InChIKeyPZWNBHDPBZCRLD-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.79
Rot. Bonds5

About 3-(3-methoxypropoxy)-1H-pyridin-2-one

3-(3-methoxypropoxy)-1H-pyridin-2-one (PubChem CID 89135377) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is 3-(3-methoxypropoxy)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(3-methoxypropoxy)-1H-pyridin-2-one
PubChem CID89135377
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Name3-(3-methoxypropoxy)-1H-pyridin-2-one
SMILESCOCCCOc1ccc[nH]c1=O
InChIInChI=1S/C9H13NO3/c1-12-6-3-7-13-8-4-2-5-10-9(8)11/h2,4-5H,3,6-7H2,1H3,(H,10,11)
InChIKeyPZWNBHDPBZCRLD-UHFFFAOYSA-N
XLogP0.79
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxypropoxy)-1H-pyridin-2-one?
The IUPAC name of 3-(3-methoxypropoxy)-1H-pyridin-2-one (CID 89135377) is 3-(3-methoxypropoxy)-1H-pyridin-2-one.
What is the SMILES notation for 3-(3-methoxypropoxy)-1H-pyridin-2-one?
The canonical SMILES for 3-(3-methoxypropoxy)-1H-pyridin-2-one is COCCCOc1ccc[nH]c1=O.
What is the InChIKey of 3-(3-methoxypropoxy)-1H-pyridin-2-one?
The InChIKey is PZWNBHDPBZCRLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3/c1-12-6-3-7-13-8-4-2-5-10-9(8)11/h2,4-5H,3,6-7H2,1H3,(H,10,11).
What are the key properties of 3-(3-methoxypropoxy)-1H-pyridin-2-one?
3-(3-methoxypropoxy)-1H-pyridin-2-one has a molecular weight of 183.21 g/mol, XLogP of 0.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxypropoxy)-1H-pyridin-2-one is sourced from PubChem (CID 89135377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).