2-cyclopentyloxy-7-oxabicyclo[2.2.1]hepta-1,3,5-triene;2-ethylpyrrolidine

C17H25NO2 — CID 23339514

IUPAC2-cyclopentyloxy-7-oxabicyclo[2.2.1]hepta-1,3,5-triene;2-ethylpyrrolidine
SMILESCCC1CCCN1.c1cc2oc1cc2OC1CCCC1
InChIInChI=1S/C11H12O2.C6H13N/c1-2-4-8(3-1)12-11-7-9-5-6-10(11)13-9;1-2-6-4-3-5-7-6/h5-8H,1-4H2;6-7H,2-5H2,1H3
InChIKeySQXKQDJBFCRRIL-UHFFFAOYSA-N
MW275.39 g/mol
LogP4.34
Rot. Bonds3

About 2-cyclopentyloxy-7-oxabicyclo[2.2.1]hepta-1,3,5-triene;2-ethylpyrrolidine

2-cyclopentyloxy-7-oxabicyclo[2.2.1]hepta-1,3,5-triene;2-ethylpyrrolidine (PubChem CID 23339514) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 2-cyclopentyloxy-7-oxabicyclo[2.2.1]hepta-1,3,5-triene;2-ethylpyrrolidine.

Molecular Properties

Compound Name2-cyclopentyloxy-7-oxabicyclo[2.2.1]hepta-1,3,5-triene;2-ethylpyrrolidine
PubChem CID23339514
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name2-cyclopentyloxy-7-oxabicyclo[2.2.1]hepta-1,3,5-triene;2-ethylpyrrolidine
SMILESCCC1CCCN1.c1cc2oc1cc2OC1CCCC1
InChIInChI=1S/C11H12O2.C6H13N/c1-2-4-8(3-1)12-11-7-9-5-6-10(11)13-9;1-2-6-4-3-5-7-6/h5-8H,1-4H2;6-7H,2-5H2,1H3
InChIKeySQXKQDJBFCRRIL-UHFFFAOYSA-N
XLogP4.34
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-7-oxabicyclo[2.2.1]hepta-1,3,5-triene;2-ethylpyrrolidine
CID 23339538
2-[(2-cyclobutyloxy-5-methylphenyl)methyl]pyrrolidine
CID 117366139
2-ethylpiperidine;hydrobromide
CID 131717239
2-ethylpyrrolidine;7-fluoro-6-oxabicyclo[3.1.1]hepta-1(7),2,4-triene
CID 23339515
2-[(3-bromo-4-cyclobutyloxyphenyl)methyl]pyrrolidine
CID 117495047
2-[(5-chloro-2-cyclobutyloxyphenyl)methyl]pyrrolidine
CID 117418732
2-ethylpiperidine;6-oxabicyclo[3.1.1]hepta-1(7),2,4-trien-7-ol
CID 23339553
2-[(2-chloro-4-cyclopentyloxy-5-methoxyphenyl)methyl]pyrrolidine
CID 117494580
2-[(4-cyclopropyloxy-3-methoxyphenyl)methyl]piperidine
CID 117408287
ethane;(2R)-2-ethylpyrrolidine;molecular hydrogen;hydrofluoride
CID 178147337
4-cyclopentyloxy-N-(piperidin-2-ylmethyl)aniline
CID 106633330
2-[[2-methoxy-3-(oxan-4-yloxy)phenyl]methyl]pyrrolidine
CID 117470858

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyloxy-7-oxabicyclo[2.2.1]hepta-1,3,5-triene;2-ethylpyrrolidine?
The IUPAC name of 2-cyclopentyloxy-7-oxabicyclo[2.2.1]hepta-1,3,5-triene;2-ethylpyrrolidine (CID 23339514) is 2-cyclopentyloxy-7-oxabicyclo[2.2.1]hepta-1,3,5-triene;2-ethylpyrrolidine.
What is the SMILES notation for 2-cyclopentyloxy-7-oxabicyclo[2.2.1]hepta-1,3,5-triene;2-ethylpyrrolidine?
The canonical SMILES for 2-cyclopentyloxy-7-oxabicyclo[2.2.1]hepta-1,3,5-triene;2-ethylpyrrolidine is CCC1CCCN1.c1cc2oc1cc2OC1CCCC1.
What is the InChIKey of 2-cyclopentyloxy-7-oxabicyclo[2.2.1]hepta-1,3,5-triene;2-ethylpyrrolidine?
The InChIKey is SQXKQDJBFCRRIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O2.C6H13N/c1-2-4-8(3-1)12-11-7-9-5-6-10(11)13-9;1-2-6-4-3-5-7-6/h5-8H,1-4H2;6-7H,2-5H2,1H3.
What are the key properties of 2-cyclopentyloxy-7-oxabicyclo[2.2.1]hepta-1,3,5-triene;2-ethylpyrrolidine?
2-cyclopentyloxy-7-oxabicyclo[2.2.1]hepta-1,3,5-triene;2-ethylpyrrolidine has a molecular weight of 275.39 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyloxy-7-oxabicyclo[2.2.1]hepta-1,3,5-triene;2-ethylpyrrolidine is sourced from PubChem (CID 23339514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).