7-(2-pyridin-2-ylethoxy)heptan-2-one

C14H21NO2 — CID 23045048

IUPAC7-(2-pyridin-2-ylethoxy)heptan-2-one
SMILESCC(=O)CCCCCOCCc1ccccn1
InChIInChI=1S/C14H21NO2/c1-13(16)7-3-2-6-11-17-12-9-14-8-4-5-10-15-14/h4-5,8,10H,2-3,6-7,9,11-12H2,1H3
InChIKeyIAPOOUBCTHULKQ-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.79
Rot. Bonds9

About 7-(2-pyridin-2-ylethoxy)heptan-2-one

7-(2-pyridin-2-ylethoxy)heptan-2-one (PubChem CID 23045048) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 7-(2-pyridin-2-ylethoxy)heptan-2-one.

Molecular Properties

Compound Name7-(2-pyridin-2-ylethoxy)heptan-2-one
PubChem CID23045048
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name7-(2-pyridin-2-ylethoxy)heptan-2-one
SMILESCC(=O)CCCCCOCCc1ccccn1
InChIInChI=1S/C14H21NO2/c1-13(16)7-3-2-6-11-17-12-9-14-8-4-5-10-15-14/h4-5,8,10H,2-3,6-7,9,11-12H2,1H3
InChIKeyIAPOOUBCTHULKQ-UHFFFAOYSA-N
XLogP2.79
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.79
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

6-(2-pyridin-2-ylethoxy)hexanoyl chloride
CID 15166942
2-[6-(6-pyridin-2-ylhexoxy)hexyl]pyridine
CID 57198665
N-propan-2-yl-5-(2-pyridin-2-ylethoxy)pentan-1-amine
CID 62455568
4-(2-pyridin-2-ylethoxy)-1-thiophen-2-ylbutan-1-one
CID 62030031
5-(pyridin-2-ylmethoxy)pentanoic acid
CID 83213720
2,2-dimethyl-3-(2-pyridin-2-ylethoxy)propanehydrazide
CID 79628320
methyl 2,2-dimethyl-3-(2-pyridin-2-ylethoxy)propanoate
CID 79622873
2-[3-(6-bromohexoxy)propyl]pyridine
CID 22161742
6-[methyl(pyridin-2-ylmethyl)amino]hexan-2-one
CID 62051224
N-[5-(2-pyridin-2-ylethoxy)pentyl]cyclopropanamine
CID 62455569
4-(2-pyridin-2-ylethoxy)butanimidamide
CID 43128902
ethyl 12-pyridin-2-yldodecanoate
CID 3298183

Frequently Asked Questions

What is the IUPAC name of 7-(2-pyridin-2-ylethoxy)heptan-2-one?
The IUPAC name of 7-(2-pyridin-2-ylethoxy)heptan-2-one (CID 23045048) is 7-(2-pyridin-2-ylethoxy)heptan-2-one.
What is the SMILES notation for 7-(2-pyridin-2-ylethoxy)heptan-2-one?
The canonical SMILES for 7-(2-pyridin-2-ylethoxy)heptan-2-one is CC(=O)CCCCCOCCc1ccccn1.
What is the InChIKey of 7-(2-pyridin-2-ylethoxy)heptan-2-one?
The InChIKey is IAPOOUBCTHULKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-13(16)7-3-2-6-11-17-12-9-14-8-4-5-10-15-14/h4-5,8,10H,2-3,6-7,9,11-12H2,1H3.
What are the key properties of 7-(2-pyridin-2-ylethoxy)heptan-2-one?
7-(2-pyridin-2-ylethoxy)heptan-2-one has a molecular weight of 235.33 g/mol, XLogP of 2.79, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-pyridin-2-ylethoxy)heptan-2-one is sourced from PubChem (CID 23045048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).