1-(2-phenyl-1-benzofuran-5-yl)pyrrolidine

C18H17NO — CID 168513405

IUPAC1-(2-phenyl-1-benzofuran-5-yl)pyrrolidine
SMILESc1ccc(-c2cc3cc(N4CCCC4)ccc3o2)cc1
InChIInChI=1S/C18H17NO/c1-2-6-14(7-3-1)18-13-15-12-16(8-9-17(15)20-18)19-10-4-5-11-19/h1-3,6-9,12-13H,4-5,10-11H2
InChIKeyVYXDEJNCVFCLQI-UHFFFAOYSA-N
MW263.34 g/mol
LogP4.70
Rot. Bonds2

About 1-(2-phenyl-1-benzofuran-5-yl)pyrrolidine

1-(2-phenyl-1-benzofuran-5-yl)pyrrolidine (PubChem CID 168513405) has the molecular formula C18H17NO and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-(2-phenyl-1-benzofuran-5-yl)pyrrolidine.

Molecular Properties

Compound Name1-(2-phenyl-1-benzofuran-5-yl)pyrrolidine
PubChem CID168513405
Molecular FormulaC18H17NO
Molecular Weight263.34 g/mol
Exact Mass263.13
IUPAC Name1-(2-phenyl-1-benzofuran-5-yl)pyrrolidine
SMILESc1ccc(-c2cc3cc(N4CCCC4)ccc3o2)cc1
InChIInChI=1S/C18H17NO/c1-2-6-14(7-3-1)18-13-15-12-16(8-9-17(15)20-18)19-10-4-5-11-19/h1-3,6-9,12-13H,4-5,10-11H2
InChIKeyVYXDEJNCVFCLQI-UHFFFAOYSA-N
XLogP4.70
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-phenyl-1-benzofuran-5-yl)pyrrolidine?
The IUPAC name of 1-(2-phenyl-1-benzofuran-5-yl)pyrrolidine (CID 168513405) is 1-(2-phenyl-1-benzofuran-5-yl)pyrrolidine.
What is the SMILES notation for 1-(2-phenyl-1-benzofuran-5-yl)pyrrolidine?
The canonical SMILES for 1-(2-phenyl-1-benzofuran-5-yl)pyrrolidine is c1ccc(-c2cc3cc(N4CCCC4)ccc3o2)cc1.
What is the InChIKey of 1-(2-phenyl-1-benzofuran-5-yl)pyrrolidine?
The InChIKey is VYXDEJNCVFCLQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO/c1-2-6-14(7-3-1)18-13-15-12-16(8-9-17(15)20-18)19-10-4-5-11-19/h1-3,6-9,12-13H,4-5,10-11H2.
What are the key properties of 1-(2-phenyl-1-benzofuran-5-yl)pyrrolidine?
1-(2-phenyl-1-benzofuran-5-yl)pyrrolidine has a molecular weight of 263.34 g/mol, XLogP of 4.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenyl-1-benzofuran-5-yl)pyrrolidine is sourced from PubChem (CID 168513405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).