1-[5-(oxolan-3-yloxy)-2-pyridinyl]ethanone

C11H13NO3 — CID 83119185

IUPAC1-[5-(oxolan-3-yloxy)-2-pyridinyl]ethanone
SMILESCC(=O)c1ccc(OC2CCOC2)cn1
InChIInChI=1S/C11H13NO3/c1-8(13)11-3-2-9(6-12-11)15-10-4-5-14-7-10/h2-3,6,10H,4-5,7H2,1H3
InChIKeyHUOIWZPPSONGNJ-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.45
Rot. Bonds3

About 1-[5-(oxolan-3-yloxy)-2-pyridinyl]ethanone

1-[5-(oxolan-3-yloxy)-2-pyridinyl]ethanone (PubChem CID 83119185) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is 1-[5-(oxolan-3-yloxy)-2-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[5-(oxolan-3-yloxy)-2-pyridinyl]ethanone
PubChem CID83119185
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name1-[5-(oxolan-3-yloxy)-2-pyridinyl]ethanone
SMILESCC(=O)c1ccc(OC2CCOC2)cn1
InChIInChI=1S/C11H13NO3/c1-8(13)11-3-2-9(6-12-11)15-10-4-5-14-7-10/h2-3,6,10H,4-5,7H2,1H3
InChIKeyHUOIWZPPSONGNJ-UHFFFAOYSA-N
XLogP1.45
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-(4,4-dimethylcyclohexyl)oxy-2-pyridinyl]ethanone
CID 114341234
5-(oxan-4-yloxy)pyridine-2-carboxylic acid
CID 66570796
1-[5-(oxan-4-yloxy)-2-pyridinyl]propan-1-one
CID 112583867
1-[5-(3-methoxycyclohexyl)oxy-2-pyridinyl]ethanone
CID 83120164
(1S)-1-[5-(oxolan-3-yloxy)-2-pyridinyl]ethanamine
CID 83123778
oxolan-3-yl 5-aminopyridine-2-carboxylate
CID 81316831
1-[4-(oxan-4-yloxy)phenyl]ethanone
CID 61288786
4-[(3R)-oxolan-3-yl]oxybenzoic acid
CID 95979365
4-(oxolan-3-yloxy)pyridine-2-carboxylic acid
CID 63556832
N'-hydroxy-5-(oxan-4-yloxy)pyridine-2-carboximidamide
CID 136990868
1-[5-(oxolan-3-yloxy)-2-pyridinyl]propan-2-amine
CID 79800705
1-[4-(oxolan-3-yloxy)phenyl]propan-1-one
CID 63557977

Frequently Asked Questions

What is the IUPAC name of 1-[5-(oxolan-3-yloxy)-2-pyridinyl]ethanone?
The IUPAC name of 1-[5-(oxolan-3-yloxy)-2-pyridinyl]ethanone (CID 83119185) is 1-[5-(oxolan-3-yloxy)-2-pyridinyl]ethanone.
What is the SMILES notation for 1-[5-(oxolan-3-yloxy)-2-pyridinyl]ethanone?
The canonical SMILES for 1-[5-(oxolan-3-yloxy)-2-pyridinyl]ethanone is CC(=O)c1ccc(OC2CCOC2)cn1.
What is the InChIKey of 1-[5-(oxolan-3-yloxy)-2-pyridinyl]ethanone?
The InChIKey is HUOIWZPPSONGNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-8(13)11-3-2-9(6-12-11)15-10-4-5-14-7-10/h2-3,6,10H,4-5,7H2,1H3.
What are the key properties of 1-[5-(oxolan-3-yloxy)-2-pyridinyl]ethanone?
1-[5-(oxolan-3-yloxy)-2-pyridinyl]ethanone has a molecular weight of 207.23 g/mol, XLogP of 1.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(oxolan-3-yloxy)-2-pyridinyl]ethanone is sourced from PubChem (CID 83119185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).