1-[2-(3-ethenylphenoxy)ethyl]pyrrolidine

C14H19NO — CID 176891275

IUPAC1-[2-(3-ethenylphenoxy)ethyl]pyrrolidine
SMILESC=Cc1cccc(OCCN2CCCC2)c1
InChIInChI=1S/C14H19NO/c1-2-13-6-5-7-14(12-13)16-11-10-15-8-3-4-9-15/h2,5-7,12H,1,3-4,8-11H2
InChIKeyMQWYLGSGGLQIGT-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.80
Rot. Bonds5

About 1-[2-(3-ethenylphenoxy)ethyl]pyrrolidine

1-[2-(3-ethenylphenoxy)ethyl]pyrrolidine (PubChem CID 176891275) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 1-[2-(3-ethenylphenoxy)ethyl]pyrrolidine.

Molecular Properties

Compound Name1-[2-(3-ethenylphenoxy)ethyl]pyrrolidine
PubChem CID176891275
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name1-[2-(3-ethenylphenoxy)ethyl]pyrrolidine
SMILESC=Cc1cccc(OCCN2CCCC2)c1
InChIInChI=1S/C14H19NO/c1-2-13-6-5-7-14(12-13)16-11-10-15-8-3-4-9-15/h2,5-7,12H,1,3-4,8-11H2
InChIKeyMQWYLGSGGLQIGT-UHFFFAOYSA-N
XLogP2.80
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(2-piperidin-1-ylethoxy)phenyl]methylidenehydrazine
CID 168530376
trifluoro-[3-(2-pyrrolidin-1-ylethoxy)phenyl]boranuide
CID 63678115
1-[2-(3-phenylphenoxy)ethyl]piperidine
CID 58483782
(1R)-1-[3-(2-pyrrolidin-1-ylethoxy)phenyl]ethanol
CID 78934419
(Z)-2-phenyl-3-[3-(2-piperidin-1-ylethoxy)phenyl]prop-2-enoic acid
CID 20986724
1-[2-(3-propan-2-ylphenoxy)ethyl]pyrrolidine
CID 869541
3-(4-chlorophenoxy)-1-[2-(3-ethenylphenoxy)ethyl]-3-methylpyrrolidine
CID 121430055
3-[2-(azocan-1-yl)ethoxy]benzoic acid
CID 43532593
oxalic acid;3-(4-piperidin-1-ylbutoxy)benzaldehyde
CID 2949977
1,4-bis(2-phenoxyethyl)-1,4-diazepane
CID 58861609
3-(3-pyrrolidin-1-ylpropoxy)phenol
CID 61494316
(1E,4E)-1-(3-ethylphenyl)-5-[3-(2-piperidin-1-ylethoxy)phenyl]penta-1,4-dien-3-one;sulfur trioxide
CID 159336033

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-ethenylphenoxy)ethyl]pyrrolidine?
The IUPAC name of 1-[2-(3-ethenylphenoxy)ethyl]pyrrolidine (CID 176891275) is 1-[2-(3-ethenylphenoxy)ethyl]pyrrolidine.
What is the SMILES notation for 1-[2-(3-ethenylphenoxy)ethyl]pyrrolidine?
The canonical SMILES for 1-[2-(3-ethenylphenoxy)ethyl]pyrrolidine is C=Cc1cccc(OCCN2CCCC2)c1.
What is the InChIKey of 1-[2-(3-ethenylphenoxy)ethyl]pyrrolidine?
The InChIKey is MQWYLGSGGLQIGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-2-13-6-5-7-14(12-13)16-11-10-15-8-3-4-9-15/h2,5-7,12H,1,3-4,8-11H2.
What are the key properties of 1-[2-(3-ethenylphenoxy)ethyl]pyrrolidine?
1-[2-(3-ethenylphenoxy)ethyl]pyrrolidine has a molecular weight of 217.31 g/mol, XLogP of 2.80, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-ethenylphenoxy)ethyl]pyrrolidine is sourced from PubChem (CID 176891275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).