5-(oxan-4-yl)-1-pyridin-3-ylpentan-1-one

C15H21NO2 — CID 114191877

IUPAC5-(oxan-4-yl)-1-pyridin-3-ylpentan-1-one
SMILESO=C(CCCCC1CCOCC1)c1cccnc1
InChIInChI=1S/C15H21NO2/c17-15(14-5-3-9-16-12-14)6-2-1-4-13-7-10-18-11-8-13/h3,5,9,12-13H,1-2,4,6-8,10-11H2
InChIKeyHCXMTZLZNCAZKZ-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.25
Rot. Bonds6

About 5-(oxan-4-yl)-1-pyridin-3-ylpentan-1-one

5-(oxan-4-yl)-1-pyridin-3-ylpentan-1-one (PubChem CID 114191877) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 5-(oxan-4-yl)-1-pyridin-3-ylpentan-1-one.

Molecular Properties

Compound Name5-(oxan-4-yl)-1-pyridin-3-ylpentan-1-one
PubChem CID114191877
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name5-(oxan-4-yl)-1-pyridin-3-ylpentan-1-one
SMILESO=C(CCCCC1CCOCC1)c1cccnc1
InChIInChI=1S/C15H21NO2/c17-15(14-5-3-9-16-12-14)6-2-1-4-13-7-10-18-11-8-13/h3,5,9,12-13H,1-2,4,6-8,10-11H2
InChIKeyHCXMTZLZNCAZKZ-UHFFFAOYSA-N
XLogP3.25
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.25
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

7,7-dimethyl-1-pyridin-3-yloctane-1,6-dione
CID 157216244
oxan-4-yl(pyridin-3-yl)methanone
CID 11321445
1-pyridin-3-ylundecan-1-one
CID 19756112
7,7-diamino-1-pyridin-3-ylheptan-1-one
CID 142992432
1-pyridin-3-ylpentan-1-one
CID 12648543
5-ethoxy-1-pyridin-3-ylpentan-1-one
CID 121009142
3-(oxan-4-yl)-N-pyridin-3-ylsulfonylpropanamide
CID 91643668
2-cycloheptyl-1-pyridin-3-ylethanone
CID 114963158
1,4-dioxane;pyridine-3-carbonyl chloride
CID 146303491
6-[1-(pyridine-3-carbonyl)piperidin-4-yl]-1-thieno[2,3-c]pyridin-2-ylhexan-1-one
CID 148501492
N-(2-morpholin-4-ylethyl)-4-oxo-4-pyridin-3-ylbutanamide
CID 110408170
1-[5-[(2-methylphenyl)methoxymethyl]-2-pyridinyl]-5-(oxan-4-yl)pentan-1-one
CID 123662749

Frequently Asked Questions

What is the IUPAC name of 5-(oxan-4-yl)-1-pyridin-3-ylpentan-1-one?
The IUPAC name of 5-(oxan-4-yl)-1-pyridin-3-ylpentan-1-one (CID 114191877) is 5-(oxan-4-yl)-1-pyridin-3-ylpentan-1-one.
What is the SMILES notation for 5-(oxan-4-yl)-1-pyridin-3-ylpentan-1-one?
The canonical SMILES for 5-(oxan-4-yl)-1-pyridin-3-ylpentan-1-one is O=C(CCCCC1CCOCC1)c1cccnc1.
What is the InChIKey of 5-(oxan-4-yl)-1-pyridin-3-ylpentan-1-one?
The InChIKey is HCXMTZLZNCAZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c17-15(14-5-3-9-16-12-14)6-2-1-4-13-7-10-18-11-8-13/h3,5,9,12-13H,1-2,4,6-8,10-11H2.
What are the key properties of 5-(oxan-4-yl)-1-pyridin-3-ylpentan-1-one?
5-(oxan-4-yl)-1-pyridin-3-ylpentan-1-one has a molecular weight of 247.34 g/mol, XLogP of 3.25, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(oxan-4-yl)-1-pyridin-3-ylpentan-1-one is sourced from PubChem (CID 114191877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).