6-(2-pyrrolidin-1-ylethoxy)chromen-4-one

C15H17NO3 — CID 141317764

IUPAC6-(2-pyrrolidin-1-ylethoxy)chromen-4-one
SMILESO=c1ccoc2ccc(OCCN3CCCC3)cc12
InChIInChI=1S/C15H17NO3/c17-14-5-9-19-15-4-3-12(11-13(14)15)18-10-8-16-6-1-2-7-16/h3-5,9,11H,1-2,6-8,10H2
InChIKeyHXCYYNZUWOYKGO-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.27
Rot. Bonds4

About 6-(2-pyrrolidin-1-ylethoxy)chromen-4-one

6-(2-pyrrolidin-1-ylethoxy)chromen-4-one (PubChem CID 141317764) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is 6-(2-pyrrolidin-1-ylethoxy)chromen-4-one.

Molecular Properties

Compound Name6-(2-pyrrolidin-1-ylethoxy)chromen-4-one
PubChem CID141317764
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Name6-(2-pyrrolidin-1-ylethoxy)chromen-4-one
SMILESO=c1ccoc2ccc(OCCN3CCCC3)cc12
InChIInChI=1S/C15H17NO3/c17-14-5-9-19-15-4-3-12(11-13(14)15)18-10-8-16-6-1-2-7-16/h3-5,9,11H,1-2,6-8,10H2
InChIKeyHXCYYNZUWOYKGO-UHFFFAOYSA-N
XLogP2.27
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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(2-Oxo-2-pyrrolidin-1-ylethyl) 4-oxochromene-2-carboxylate
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2-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]xanthen-9-one
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6-(2-Dimethylamino-ethoxy)-2-phenyl-chromen-4-one
CID 14982949
6-(4-Dimethylamino-butoxy)-2-phenyl-chromen-4-one
CID 14982951
6-(5-Dimethylamino-pentyloxy)-2-phenyl-chromen-4-one
CID 14982952
6-(6-Dimethylamino-hexyloxy)-2-phenyl-chromen-4-one
CID 14982953
6-(7-Dimethylamino-heptyloxy)-2-phenyl-chromen-4-one
CID 14982954
6-(8-Dimethylamino-octyloxy)-2-phenyl-chromen-4-one
CID 14982955

Frequently Asked Questions

What is the IUPAC name of 6-(2-pyrrolidin-1-ylethoxy)chromen-4-one?
The IUPAC name of 6-(2-pyrrolidin-1-ylethoxy)chromen-4-one (CID 141317764) is 6-(2-pyrrolidin-1-ylethoxy)chromen-4-one.
What is the SMILES notation for 6-(2-pyrrolidin-1-ylethoxy)chromen-4-one?
The canonical SMILES for 6-(2-pyrrolidin-1-ylethoxy)chromen-4-one is O=c1ccoc2ccc(OCCN3CCCC3)cc12.
What is the InChIKey of 6-(2-pyrrolidin-1-ylethoxy)chromen-4-one?
The InChIKey is HXCYYNZUWOYKGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c17-14-5-9-19-15-4-3-12(11-13(14)15)18-10-8-16-6-1-2-7-16/h3-5,9,11H,1-2,6-8,10H2.
What are the key properties of 6-(2-pyrrolidin-1-ylethoxy)chromen-4-one?
6-(2-pyrrolidin-1-ylethoxy)chromen-4-one has a molecular weight of 259.31 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-pyrrolidin-1-ylethoxy)chromen-4-one is sourced from PubChem (CID 141317764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).