1-(1,3-dihydrobenzo[e][2]benzofuran-4-ylmethyl)pyrrolidine

C17H19NO — CID 822787

IUPAC1-(1,3-dihydrobenzo[e][2]benzofuran-4-ylmethyl)pyrrolidine
SMILESc1ccc2c3c(c(CN4CCCC4)cc2c1)COC3
InChIInChI=1S/C17H19NO/c1-2-6-15-13(5-1)9-14(10-18-7-3-4-8-18)16-11-19-12-17(15)16/h1-2,5-6,9H,3-4,7-8,10-12H2
InChIKeyVQYOWZJUFOFYJJ-UHFFFAOYSA-N
MW253.34 g/mol
LogP3.47
Rot. Bonds2

About 1-(1,3-dihydrobenzo[e][2]benzofuran-4-ylmethyl)pyrrolidine

1-(1,3-dihydrobenzo[e][2]benzofuran-4-ylmethyl)pyrrolidine (PubChem CID 822787) has the molecular formula C17H19NO and a molecular weight of 253.34 g/mol. Its IUPAC name is 1-(1,3-dihydrobenzo[e][2]benzofuran-4-ylmethyl)pyrrolidine.

Molecular Properties

Compound Name1-(1,3-dihydrobenzo[e][2]benzofuran-4-ylmethyl)pyrrolidine
PubChem CID822787
Molecular FormulaC17H19NO
Molecular Weight253.34 g/mol
Exact Mass253.15
IUPAC Name1-(1,3-dihydrobenzo[e][2]benzofuran-4-ylmethyl)pyrrolidine
SMILESc1ccc2c3c(c(CN4CCCC4)cc2c1)COC3
InChIInChI=1S/C17H19NO/c1-2-6-15-13(5-1)9-14(10-18-7-3-4-8-18)16-11-19-12-17(15)16/h1-2,5-6,9H,3-4,7-8,10-12H2
InChIKeyVQYOWZJUFOFYJJ-UHFFFAOYSA-N
XLogP3.47
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dihydrobenzo[e][2]benzofuran-4-ylmethyl)pyrrolidine?
The IUPAC name of 1-(1,3-dihydrobenzo[e][2]benzofuran-4-ylmethyl)pyrrolidine (CID 822787) is 1-(1,3-dihydrobenzo[e][2]benzofuran-4-ylmethyl)pyrrolidine.
What is the SMILES notation for 1-(1,3-dihydrobenzo[e][2]benzofuran-4-ylmethyl)pyrrolidine?
The canonical SMILES for 1-(1,3-dihydrobenzo[e][2]benzofuran-4-ylmethyl)pyrrolidine is c1ccc2c3c(c(CN4CCCC4)cc2c1)COC3.
What is the InChIKey of 1-(1,3-dihydrobenzo[e][2]benzofuran-4-ylmethyl)pyrrolidine?
The InChIKey is VQYOWZJUFOFYJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-2-6-15-13(5-1)9-14(10-18-7-3-4-8-18)16-11-19-12-17(15)16/h1-2,5-6,9H,3-4,7-8,10-12H2.
What are the key properties of 1-(1,3-dihydrobenzo[e][2]benzofuran-4-ylmethyl)pyrrolidine?
1-(1,3-dihydrobenzo[e][2]benzofuran-4-ylmethyl)pyrrolidine has a molecular weight of 253.34 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dihydrobenzo[e][2]benzofuran-4-ylmethyl)pyrrolidine is sourced from PubChem (CID 822787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).