2-[2-(oxetan-3-yl)phenyl]pyrrolidine

C13H17NO — CID 83832200

IUPAC2-[2-(oxetan-3-yl)phenyl]pyrrolidine
SMILESc1ccc(C2CCCN2)c(C2COC2)c1
InChIInChI=1S/C13H17NO/c1-2-5-12(13-6-3-7-14-13)11(4-1)10-8-15-9-10/h1-2,4-5,10,13-14H,3,6-9H2
InChIKeyAMSISQNTMZRQSC-UHFFFAOYSA-N
MW203.28 g/mol
LogP2.22
Rot. Bonds2

About 2-[2-(oxetan-3-yl)phenyl]pyrrolidine

2-[2-(oxetan-3-yl)phenyl]pyrrolidine (PubChem CID 83832200) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is 2-[2-(oxetan-3-yl)phenyl]pyrrolidine.

Molecular Properties

Compound Name2-[2-(oxetan-3-yl)phenyl]pyrrolidine
PubChem CID83832200
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name2-[2-(oxetan-3-yl)phenyl]pyrrolidine
SMILESc1ccc(C2CCCN2)c(C2COC2)c1
InChIInChI=1S/C13H17NO/c1-2-5-12(13-6-3-7-14-13)11(4-1)10-8-15-9-10/h1-2,4-5,10,13-14H,3,6-9H2
InChIKeyAMSISQNTMZRQSC-UHFFFAOYSA-N
XLogP2.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 77131701
2-(2-cyclopentylphenyl)piperidine
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CID 3059576
2-[(2R)-pyrrolidin-2-yl]benzenethiol
CID 66518323
(2S)-2-(2-fluorophenyl)pyrrolidine;hydrochloride
CID 66518510
(2R)-2-(2-fluorophenyl)pyrrolidine;methane
CID 161076171
2-pyrrolidin-2-ylaniline;dihydrochloride
CID 66519278
2-[2-(oxetan-3-ylsulfonyl)phenyl]piperidine
CID 117451635
4-[2-[(2R)-pyrrolidin-2-yl]phenyl]morpholine
CID 96807241
(2S)-2-(2-prop-1-ynylphenyl)pyrrolidine;hydrochloride
CID 164551628
(2R)-2-(2-methoxyphenyl)pyrrolidine
CID 7047810
[2-[(2S)-pyrrolidin-2-yl]phenyl]methanol
CID 66518247

Frequently Asked Questions

What is the IUPAC name of 2-[2-(oxetan-3-yl)phenyl]pyrrolidine?
The IUPAC name of 2-[2-(oxetan-3-yl)phenyl]pyrrolidine (CID 83832200) is 2-[2-(oxetan-3-yl)phenyl]pyrrolidine.
What is the SMILES notation for 2-[2-(oxetan-3-yl)phenyl]pyrrolidine?
The canonical SMILES for 2-[2-(oxetan-3-yl)phenyl]pyrrolidine is c1ccc(C2CCCN2)c(C2COC2)c1.
What is the InChIKey of 2-[2-(oxetan-3-yl)phenyl]pyrrolidine?
The InChIKey is AMSISQNTMZRQSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-2-5-12(13-6-3-7-14-13)11(4-1)10-8-15-9-10/h1-2,4-5,10,13-14H,3,6-9H2.
What are the key properties of 2-[2-(oxetan-3-yl)phenyl]pyrrolidine?
2-[2-(oxetan-3-yl)phenyl]pyrrolidine has a molecular weight of 203.28 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(oxetan-3-yl)phenyl]pyrrolidine is sourced from PubChem (CID 83832200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).