5-ethoxy-1-pyridin-3-ylpentan-1-one

C12H17NO2 — CID 121009142

IUPAC5-ethoxy-1-pyridin-3-ylpentan-1-one
SMILESCCOCCCCC(=O)c1cccnc1
InChIInChI=1S/C12H17NO2/c1-2-15-9-4-3-7-12(14)11-6-5-8-13-10-11/h5-6,8,10H,2-4,7,9H2,1H3
InChIKeyHGHWHTIGEDDTNL-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.47
Rot. Bonds7

About 5-ethoxy-1-pyridin-3-ylpentan-1-one

5-ethoxy-1-pyridin-3-ylpentan-1-one (PubChem CID 121009142) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 5-ethoxy-1-pyridin-3-ylpentan-1-one.

Molecular Properties

Compound Name5-ethoxy-1-pyridin-3-ylpentan-1-one
PubChem CID121009142
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name5-ethoxy-1-pyridin-3-ylpentan-1-one
SMILESCCOCCCCC(=O)c1cccnc1
InChIInChI=1S/C12H17NO2/c1-2-15-9-4-3-7-12(14)11-6-5-8-13-10-11/h5-6,8,10H,2-4,7,9H2,1H3
InChIKeyHGHWHTIGEDDTNL-UHFFFAOYSA-N
XLogP2.47
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-pyridin-3-ylundecan-1-one
CID 19756112
1-pyridin-3-ylpentan-1-one
CID 12648543
7,7-dimethyl-1-pyridin-3-yloctane-1,6-dione
CID 157216244
4,4-bis(diethoxyphosphoryl)-1-pyridin-3-ylbutan-1-one
CID 10454847
3-(4-pentoxyphenyl)-1-pyridin-3-ylpropan-1-one
CID 82185385
methyl 4-oxo-4-pyridin-3-ylbutanoate
CID 15913004
7,7-diamino-1-pyridin-3-ylheptan-1-one
CID 142992432
4-ethoxy-1-(3-ethoxyphenyl)butan-1-one
CID 105122439
5-(oxan-4-yl)-1-pyridin-3-ylpentan-1-one
CID 114191877
2-pyridin-3-ylpent-1-en-3-one
CID 155931297
3-ethoxy-1-pyridin-4-ylpropan-1-one
CID 114997236
4-ethoxy-1-pyridin-3-ylbutan-2-one
CID 94504995

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-1-pyridin-3-ylpentan-1-one?
The IUPAC name of 5-ethoxy-1-pyridin-3-ylpentan-1-one (CID 121009142) is 5-ethoxy-1-pyridin-3-ylpentan-1-one.
What is the SMILES notation for 5-ethoxy-1-pyridin-3-ylpentan-1-one?
The canonical SMILES for 5-ethoxy-1-pyridin-3-ylpentan-1-one is CCOCCCCC(=O)c1cccnc1.
What is the InChIKey of 5-ethoxy-1-pyridin-3-ylpentan-1-one?
The InChIKey is HGHWHTIGEDDTNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-2-15-9-4-3-7-12(14)11-6-5-8-13-10-11/h5-6,8,10H,2-4,7,9H2,1H3.
What are the key properties of 5-ethoxy-1-pyridin-3-ylpentan-1-one?
5-ethoxy-1-pyridin-3-ylpentan-1-one has a molecular weight of 207.27 g/mol, XLogP of 2.47, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-1-pyridin-3-ylpentan-1-one is sourced from PubChem (CID 121009142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).