2-benzo[e][1]benzofuran-1-yl-1-pyrrolidin-1-ylethanone

C18H17NO2 — CID 829752

IUPAC2-benzo[e][1]benzofuran-1-yl-1-pyrrolidin-1-ylethanone
SMILESO=C(Cc1coc2ccc3ccccc3c12)N1CCCC1
InChIInChI=1S/C18H17NO2/c20-17(19-9-3-4-10-19)11-14-12-21-16-8-7-13-5-1-2-6-15(13)18(14)16/h1-2,5-8,12H,3-4,9-11H2
InChIKeyJRPSAWORWRFWDY-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.75
Rot. Bonds2

About 2-benzo[e][1]benzofuran-1-yl-1-pyrrolidin-1-ylethanone

2-benzo[e][1]benzofuran-1-yl-1-pyrrolidin-1-ylethanone (PubChem CID 829752) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-benzo[e][1]benzofuran-1-yl-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-benzo[e][1]benzofuran-1-yl-1-pyrrolidin-1-ylethanone
PubChem CID829752
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC Name2-benzo[e][1]benzofuran-1-yl-1-pyrrolidin-1-ylethanone
SMILESO=C(Cc1coc2ccc3ccccc3c12)N1CCCC1
InChIInChI=1S/C18H17NO2/c20-17(19-9-3-4-10-19)11-14-12-21-16-8-7-13-5-1-2-6-15(13)18(14)16/h1-2,5-8,12H,3-4,9-11H2
InChIKeyJRPSAWORWRFWDY-UHFFFAOYSA-N
XLogP3.75
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-benzo[e][1]benzofuran-1-yl-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-benzo[e][1]benzofuran-1-yl-1-pyrrolidin-1-ylethanone (CID 829752) is 2-benzo[e][1]benzofuran-1-yl-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-benzo[e][1]benzofuran-1-yl-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-benzo[e][1]benzofuran-1-yl-1-pyrrolidin-1-ylethanone is O=C(Cc1coc2ccc3ccccc3c12)N1CCCC1.
What is the InChIKey of 2-benzo[e][1]benzofuran-1-yl-1-pyrrolidin-1-ylethanone?
The InChIKey is JRPSAWORWRFWDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2/c20-17(19-9-3-4-10-19)11-14-12-21-16-8-7-13-5-1-2-6-15(13)18(14)16/h1-2,5-8,12H,3-4,9-11H2.
What are the key properties of 2-benzo[e][1]benzofuran-1-yl-1-pyrrolidin-1-ylethanone?
2-benzo[e][1]benzofuran-1-yl-1-pyrrolidin-1-ylethanone has a molecular weight of 279.34 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzo[e][1]benzofuran-1-yl-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 829752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).