5-[1-(3-ethylpyrrolidin-1-yl)ethyl]benzene-1,3-diol

C14H21NO2 — CID 107708196

IUPAC5-[1-(3-ethylpyrrolidin-1-yl)ethyl]benzene-1,3-diol
SMILESCCC1CCN(C(C)c2cc(O)cc(O)c2)C1
InChIInChI=1S/C14H21NO2/c1-3-11-4-5-15(9-11)10(2)12-6-13(16)8-14(17)7-12/h6-8,10-11,16-17H,3-5,9H2,1-2H3
InChIKeyKWFGZCCHMOAQNQ-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.89
Rot. Bonds3

About 5-[1-(3-ethylpyrrolidin-1-yl)ethyl]benzene-1,3-diol

5-[1-(3-ethylpyrrolidin-1-yl)ethyl]benzene-1,3-diol (PubChem CID 107708196) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 5-[1-(3-ethylpyrrolidin-1-yl)ethyl]benzene-1,3-diol.

Molecular Properties

Compound Name5-[1-(3-ethylpyrrolidin-1-yl)ethyl]benzene-1,3-diol
PubChem CID107708196
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name5-[1-(3-ethylpyrrolidin-1-yl)ethyl]benzene-1,3-diol
SMILESCCC1CCN(C(C)c2cc(O)cc(O)c2)C1
InChIInChI=1S/C14H21NO2/c1-3-11-4-5-15(9-11)10(2)12-6-13(16)8-14(17)7-12/h6-8,10-11,16-17H,3-5,9H2,1-2H3
InChIKeyKWFGZCCHMOAQNQ-UHFFFAOYSA-N
XLogP2.89
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[1-[4-(ethylaminomethyl)piperidin-1-yl]ethyl]benzene-1,3-diol
CID 107707674
2-[1-(3-ethylpyrrolidin-1-yl)ethyl]-4-fluorophenol
CID 113419566
3-[1-(3-aminopyrrolidin-1-yl)ethyl]phenol
CID 62068559
2-[1-[3-(methylaminomethyl)pyrrolidin-1-yl]ethyl]benzene-1,4-diol
CID 63263654
2-methoxy-4-[1-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]phenol
CID 82981169
5-[1-(4-tert-butylazepan-1-yl)ethyl]benzene-1,3-diol
CID 107708134
4-[1-[3-(diethylamino)pyrrolidin-1-yl]ethyl]phenol
CID 82979936
[(3R)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]methanamine
CID 2237132
N-[[1-[1-(3-fluorophenyl)ethyl]pyrrolidin-3-yl]methyl]ethanamine
CID 62512455
2-[1-[3-(methylaminomethyl)pyrrolidin-1-yl]ethyl]benzene-1,3-diol
CID 107711411
2-methoxy-4-[1-[3-(methylaminomethyl)pyrrolidin-1-yl]ethyl]phenol
CID 63263171
1-but-3-en-2-yl-3-ethylpyrrolidine
CID 130978482

Frequently Asked Questions

What is the IUPAC name of 5-[1-(3-ethylpyrrolidin-1-yl)ethyl]benzene-1,3-diol?
The IUPAC name of 5-[1-(3-ethylpyrrolidin-1-yl)ethyl]benzene-1,3-diol (CID 107708196) is 5-[1-(3-ethylpyrrolidin-1-yl)ethyl]benzene-1,3-diol.
What is the SMILES notation for 5-[1-(3-ethylpyrrolidin-1-yl)ethyl]benzene-1,3-diol?
The canonical SMILES for 5-[1-(3-ethylpyrrolidin-1-yl)ethyl]benzene-1,3-diol is CCC1CCN(C(C)c2cc(O)cc(O)c2)C1.
What is the InChIKey of 5-[1-(3-ethylpyrrolidin-1-yl)ethyl]benzene-1,3-diol?
The InChIKey is KWFGZCCHMOAQNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-3-11-4-5-15(9-11)10(2)12-6-13(16)8-14(17)7-12/h6-8,10-11,16-17H,3-5,9H2,1-2H3.
What are the key properties of 5-[1-(3-ethylpyrrolidin-1-yl)ethyl]benzene-1,3-diol?
5-[1-(3-ethylpyrrolidin-1-yl)ethyl]benzene-1,3-diol has a molecular weight of 235.33 g/mol, XLogP of 2.89, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3-ethylpyrrolidin-1-yl)ethyl]benzene-1,3-diol is sourced from PubChem (CID 107708196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).