4-(2-butoxyethyl)-1H-pyridin-2-one

C11H17NO2 — CID 89218286

IUPAC4-(2-butoxyethyl)-1H-pyridin-2-one
SMILESCCCCOCCc1cc[nH]c(=O)c1
InChIInChI=1S/C11H17NO2/c1-2-3-7-14-8-5-10-4-6-12-11(13)9-10/h4,6,9H,2-3,5,7-8H2,1H3,(H,12,13)
InChIKeyMWYKQKBQTIMRTM-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.73
Rot. Bonds6

About 4-(2-butoxyethyl)-1H-pyridin-2-one

4-(2-butoxyethyl)-1H-pyridin-2-one (PubChem CID 89218286) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 4-(2-butoxyethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(2-butoxyethyl)-1H-pyridin-2-one
PubChem CID89218286
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name4-(2-butoxyethyl)-1H-pyridin-2-one
SMILESCCCCOCCc1cc[nH]c(=O)c1
InChIInChI=1S/C11H17NO2/c1-2-3-7-14-8-5-10-4-6-12-11(13)9-10/h4,6,9H,2-3,5,7-8H2,1H3,(H,12,13)
InChIKeyMWYKQKBQTIMRTM-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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Related Compounds

4-butoxy-1H-pyridin-2-one
CID 58896757
4-(4-phenylmethoxybutyl)-1H-pyridin-2-one
CID 72906295
4-(2-butoxyethyl)-1,2-bis(ethenyl)benzene
CID 142240951
2-pentoxyethylbenzene
CID 3022447
2-(butoxymethoxy)ethylbenzene
CID 14640423
ethane;4-(methylaminomethyl)-1H-pyridin-2-one
CID 145154349
1-(2-heptoxyethyl)-4-methoxybenzene
CID 54035904
1-[2-(2-butoxyethoxy)ethyl]-4-ethenylbenzene
CID 67776293
4-(2-pentoxyethyl)phenol
CID 67806399
1-propyl-4-[2-[2-(4-propylphenyl)ethoxy]ethyl]benzene
CID 167637922
2-butoxyethyl 2-ethyl-6-oxo-1H-pyridine-4-carboxylate
CID 75450743
1,3-bis(3-butylperoxypropyl)benzene
CID 142762210

Frequently Asked Questions

What is the IUPAC name of 4-(2-butoxyethyl)-1H-pyridin-2-one?
The IUPAC name of 4-(2-butoxyethyl)-1H-pyridin-2-one (CID 89218286) is 4-(2-butoxyethyl)-1H-pyridin-2-one.
What is the SMILES notation for 4-(2-butoxyethyl)-1H-pyridin-2-one?
The canonical SMILES for 4-(2-butoxyethyl)-1H-pyridin-2-one is CCCCOCCc1cc[nH]c(=O)c1.
What is the InChIKey of 4-(2-butoxyethyl)-1H-pyridin-2-one?
The InChIKey is MWYKQKBQTIMRTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-2-3-7-14-8-5-10-4-6-12-11(13)9-10/h4,6,9H,2-3,5,7-8H2,1H3,(H,12,13).
What are the key properties of 4-(2-butoxyethyl)-1H-pyridin-2-one?
4-(2-butoxyethyl)-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 4-(2-butoxyethyl)-1H-pyridin-2-one is sourced from PubChem (CID 89218286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).