1-(oxan-3-yl)-2-pyridin-4-ylpropan-1-one

C13H17NO2 — CID 66471046

IUPAC1-(oxan-3-yl)-2-pyridin-4-ylpropan-1-one
SMILESCC(C(=O)C1CCCOC1)c1ccncc1
InChIInChI=1S/C13H17NO2/c1-10(11-4-6-14-7-5-11)13(15)12-3-2-8-16-9-12/h4-7,10,12H,2-3,8-9H2,1H3
InChIKeyUJQSUTCMUAHEKT-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.18
Rot. Bonds3

About 1-(oxan-3-yl)-2-pyridin-4-ylpropan-1-one

1-(oxan-3-yl)-2-pyridin-4-ylpropan-1-one (PubChem CID 66471046) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 1-(oxan-3-yl)-2-pyridin-4-ylpropan-1-one.

Molecular Properties

Compound Name1-(oxan-3-yl)-2-pyridin-4-ylpropan-1-one
PubChem CID66471046
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name1-(oxan-3-yl)-2-pyridin-4-ylpropan-1-one
SMILESCC(C(=O)C1CCCOC1)c1ccncc1
InChIInChI=1S/C13H17NO2/c1-10(11-4-6-14-7-5-11)13(15)12-3-2-8-16-9-12/h4-7,10,12H,2-3,8-9H2,1H3
InChIKeyUJQSUTCMUAHEKT-UHFFFAOYSA-N
XLogP2.18
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(oxan-3-yl)-2-pyridin-4-ylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(oxolan-3-yl)-2-pyridin-4-ylpropan-1-one
CID 66469229
1-(oxan-3-yl)-2-phenylbutan-1-one
CID 107138534
2-cyclopropyl-1-(oxan-3-yl)propan-1-one
CID 107138628
3-(oxan-3-yl)-3-oxo-2-pyridin-3-ylpropanenitrile
CID 80523744
N-methyl-N-(2-pyridin-4-ylethyl)oxane-3-carboxamide
CID 110852657
(2R)-1-cyclohexyl-2-phenylpropan-1-one
CID 138970657
N-(4-chloro-3-pyridinyl)oxane-3-carboxamide
CID 103745000
(3-chloro-4-pyridinyl)-(oxan-3-yl)methanone
CID 107138539
(3R)-oxane-3-carboxylic acid
CID 42554318
2-(3-chlorophenoxy)-1-(oxan-3-yl)propan-1-one
CID 107138560
1-(oxolan-3-yl)-3-(1-pyridin-4-ylethyl)urea
CID 115758270
(3R)-N-[(R)-phenyl(pyridin-4-yl)methyl]oxolane-3-carboxamide
CID 95271888

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-3-yl)-2-pyridin-4-ylpropan-1-one?
The IUPAC name of 1-(oxan-3-yl)-2-pyridin-4-ylpropan-1-one (CID 66471046) is 1-(oxan-3-yl)-2-pyridin-4-ylpropan-1-one.
What is the SMILES notation for 1-(oxan-3-yl)-2-pyridin-4-ylpropan-1-one?
The canonical SMILES for 1-(oxan-3-yl)-2-pyridin-4-ylpropan-1-one is CC(C(=O)C1CCCOC1)c1ccncc1.
What is the InChIKey of 1-(oxan-3-yl)-2-pyridin-4-ylpropan-1-one?
The InChIKey is UJQSUTCMUAHEKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-10(11-4-6-14-7-5-11)13(15)12-3-2-8-16-9-12/h4-7,10,12H,2-3,8-9H2,1H3.
What are the key properties of 1-(oxan-3-yl)-2-pyridin-4-ylpropan-1-one?
1-(oxan-3-yl)-2-pyridin-4-ylpropan-1-one has a molecular weight of 219.28 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-3-yl)-2-pyridin-4-ylpropan-1-one is sourced from PubChem (CID 66471046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).