1-[3-[(E)-3-(1-benzofuran-5-yl)prop-2-enoxy]propyl]pyrrolidine

C18H23NO2 — CID 11978617

IUPAC1-[3-[(E)-3-(1-benzofuran-5-yl)prop-2-enoxy]propyl]pyrrolidine
SMILESC(=C/c1ccc2occc2c1)\COCCCN1CCCC1
InChIInChI=1S/C18H23NO2/c1-2-10-19(9-1)11-4-13-20-12-3-5-16-6-7-18-17(15-16)8-14-21-18/h3,5-8,14-15H,1-2,4,9-13H2/b5-3+
InChIKeyMUMBVLKEYQSNRF-HWKANZROSA-N
MW285.39 g/mol
LogP3.95
Rot. Bonds7

About 1-[3-[(E)-3-(1-benzofuran-5-yl)prop-2-enoxy]propyl]pyrrolidine

1-[3-[(E)-3-(1-benzofuran-5-yl)prop-2-enoxy]propyl]pyrrolidine (PubChem CID 11978617) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-[3-[(E)-3-(1-benzofuran-5-yl)prop-2-enoxy]propyl]pyrrolidine.

Molecular Properties

Compound Name1-[3-[(E)-3-(1-benzofuran-5-yl)prop-2-enoxy]propyl]pyrrolidine
PubChem CID11978617
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name1-[3-[(E)-3-(1-benzofuran-5-yl)prop-2-enoxy]propyl]pyrrolidine
SMILESC(=C/c1ccc2occc2c1)\COCCCN1CCCC1
InChIInChI=1S/C18H23NO2/c1-2-10-19(9-1)11-4-13-20-12-3-5-16-6-7-18-17(15-16)8-14-21-18/h3,5-8,14-15H,1-2,4,9-13H2/b5-3+
InChIKeyMUMBVLKEYQSNRF-HWKANZROSA-N
XLogP3.95
TPSA25.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(E)-3-(1-benzofuran-5-yl)prop-2-enoxy]propyl]pyrrolidine?
The IUPAC name of 1-[3-[(E)-3-(1-benzofuran-5-yl)prop-2-enoxy]propyl]pyrrolidine (CID 11978617) is 1-[3-[(E)-3-(1-benzofuran-5-yl)prop-2-enoxy]propyl]pyrrolidine.
What is the SMILES notation for 1-[3-[(E)-3-(1-benzofuran-5-yl)prop-2-enoxy]propyl]pyrrolidine?
The canonical SMILES for 1-[3-[(E)-3-(1-benzofuran-5-yl)prop-2-enoxy]propyl]pyrrolidine is C(=C/c1ccc2occc2c1)\COCCCN1CCCC1.
What is the InChIKey of 1-[3-[(E)-3-(1-benzofuran-5-yl)prop-2-enoxy]propyl]pyrrolidine?
The InChIKey is MUMBVLKEYQSNRF-HWKANZROSA-N. The full InChI is InChI=1S/C18H23NO2/c1-2-10-19(9-1)11-4-13-20-12-3-5-16-6-7-18-17(15-16)8-14-21-18/h3,5-8,14-15H,1-2,4,9-13H2/b5-3+.
What are the key properties of 1-[3-[(E)-3-(1-benzofuran-5-yl)prop-2-enoxy]propyl]pyrrolidine?
1-[3-[(E)-3-(1-benzofuran-5-yl)prop-2-enoxy]propyl]pyrrolidine has a molecular weight of 285.39 g/mol, XLogP of 3.95, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(E)-3-(1-benzofuran-5-yl)prop-2-enoxy]propyl]pyrrolidine is sourced from PubChem (CID 11978617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).