1-[2-[4-(furan-3-ylmethyl)phenoxy]ethyl]pyrrolidine

C17H21NO2 — CID 10825997

IUPAC1-[2-[4-(furan-3-ylmethyl)phenoxy]ethyl]pyrrolidine
SMILESc1cc(Cc2ccc(OCCN3CCCC3)cc2)co1
InChIInChI=1S/C17H21NO2/c1-2-9-18(8-1)10-12-20-17-5-3-15(4-6-17)13-16-7-11-19-14-16/h3-7,11,14H,1-2,8-10,12-13H2
InChIKeyIPYGSQVPTNFCDX-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.35
Rot. Bonds6

About 1-[2-[4-(furan-3-ylmethyl)phenoxy]ethyl]pyrrolidine

1-[2-[4-(furan-3-ylmethyl)phenoxy]ethyl]pyrrolidine (PubChem CID 10825997) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-[2-[4-(furan-3-ylmethyl)phenoxy]ethyl]pyrrolidine.

Molecular Properties

Compound Name1-[2-[4-(furan-3-ylmethyl)phenoxy]ethyl]pyrrolidine
PubChem CID10825997
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name1-[2-[4-(furan-3-ylmethyl)phenoxy]ethyl]pyrrolidine
SMILESc1cc(Cc2ccc(OCCN3CCCC3)cc2)co1
InChIInChI=1S/C17H21NO2/c1-2-9-18(8-1)10-12-20-17-5-3-15(4-6-17)13-16-7-11-19-14-16/h3-7,11,14H,1-2,8-10,12-13H2
InChIKeyIPYGSQVPTNFCDX-UHFFFAOYSA-N
XLogP3.35
TPSA25.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(furan-3-ylmethyl)phenoxy]ethyl]pyrrolidine?
The IUPAC name of 1-[2-[4-(furan-3-ylmethyl)phenoxy]ethyl]pyrrolidine (CID 10825997) is 1-[2-[4-(furan-3-ylmethyl)phenoxy]ethyl]pyrrolidine.
What is the SMILES notation for 1-[2-[4-(furan-3-ylmethyl)phenoxy]ethyl]pyrrolidine?
The canonical SMILES for 1-[2-[4-(furan-3-ylmethyl)phenoxy]ethyl]pyrrolidine is c1cc(Cc2ccc(OCCN3CCCC3)cc2)co1.
What is the InChIKey of 1-[2-[4-(furan-3-ylmethyl)phenoxy]ethyl]pyrrolidine?
The InChIKey is IPYGSQVPTNFCDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-2-9-18(8-1)10-12-20-17-5-3-15(4-6-17)13-16-7-11-19-14-16/h3-7,11,14H,1-2,8-10,12-13H2.
What are the key properties of 1-[2-[4-(furan-3-ylmethyl)phenoxy]ethyl]pyrrolidine?
1-[2-[4-(furan-3-ylmethyl)phenoxy]ethyl]pyrrolidine has a molecular weight of 271.36 g/mol, XLogP of 3.35, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(furan-3-ylmethyl)phenoxy]ethyl]pyrrolidine is sourced from PubChem (CID 10825997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).