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

C11H17NO2 — CID 141361629

IUPAC3-(3-propoxypropyl)-1H-pyridin-2-one
SMILESCCCOCCCc1ccc[nH]c1=O
InChIInChI=1S/C11H17NO2/c1-2-8-14-9-4-6-10-5-3-7-12-11(10)13/h3,5,7H,2,4,6,8-9H2,1H3,(H,12,13)
InChIKeyCXCMNWDNTTUNCT-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.73
Rot. Bonds6

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

3-(3-propoxypropyl)-1H-pyridin-2-one (PubChem CID 141361629) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 3-(3-propoxypropyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(3-propoxypropyl)-1H-pyridin-2-one
PubChem CID141361629
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name3-(3-propoxypropyl)-1H-pyridin-2-one
SMILESCCCOCCCc1ccc[nH]c1=O
InChIInChI=1S/C11H17NO2/c1-2-8-14-9-4-6-10-5-3-7-12-11(10)13/h3,5,7H,2,4,6,8-9H2,1H3,(H,12,13)
InChIKeyCXCMNWDNTTUNCT-UHFFFAOYSA-N
XLogP1.73
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-propoxypropyl)-1H-pyridin-2-one?
The IUPAC name of 3-(3-propoxypropyl)-1H-pyridin-2-one (CID 141361629) is 3-(3-propoxypropyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-(3-propoxypropyl)-1H-pyridin-2-one?
The canonical SMILES for 3-(3-propoxypropyl)-1H-pyridin-2-one is CCCOCCCc1ccc[nH]c1=O.
What is the InChIKey of 3-(3-propoxypropyl)-1H-pyridin-2-one?
The InChIKey is CXCMNWDNTTUNCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-2-8-14-9-4-6-10-5-3-7-12-11(10)13/h3,5,7H,2,4,6,8-9H2,1H3,(H,12,13).
What are the key properties of 3-(3-propoxypropyl)-1H-pyridin-2-one?
3-(3-propoxypropyl)-1H-pyridin-2-one has a molecular weight of 195.26 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-propoxypropyl)-1H-pyridin-2-one is sourced from PubChem (CID 141361629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).