5-ethylspiro[2-benzofuran-3,3'-pyrrolidine]-1-one

C13H15NO2 — CID 178050346

IUPAC5-ethylspiro[2-benzofuran-3,3'-pyrrolidine]-1-one
SMILESCCc1ccc2c(c1)C1(CCNC1)OC2=O
InChIInChI=1S/C13H15NO2/c1-2-9-3-4-10-11(7-9)13(16-12(10)15)5-6-14-8-13/h3-4,7,14H,2,5-6,8H2,1H3
InChIKeyBFJRVCXOZRUBTO-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.61
Rot. Bonds1

About 5-ethylspiro[2-benzofuran-3,3'-pyrrolidine]-1-one

5-ethylspiro[2-benzofuran-3,3'-pyrrolidine]-1-one (PubChem CID 178050346) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 5-ethylspiro[2-benzofuran-3,3'-pyrrolidine]-1-one.

Molecular Properties

Compound Name5-ethylspiro[2-benzofuran-3,3'-pyrrolidine]-1-one
PubChem CID178050346
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name5-ethylspiro[2-benzofuran-3,3'-pyrrolidine]-1-one
SMILESCCc1ccc2c(c1)C1(CCNC1)OC2=O
InChIInChI=1S/C13H15NO2/c1-2-9-3-4-10-11(7-9)13(16-12(10)15)5-6-14-8-13/h3-4,7,14H,2,5-6,8H2,1H3
InChIKeyBFJRVCXOZRUBTO-UHFFFAOYSA-N
XLogP1.61
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1'-benzyl-5-ethylspiro[2-benzofuran-3,4'-piperidine]-1-one;hydrochloride
CID 22660725
ethane;spiro[2-benzofuran-3,4'-piperidine]-1-one
CID 90737087
5-(3-fluoro-4-methylphenyl)spiro[2-benzofuran-3,4'-piperidine]-1-one
CID 139378991
5-ethylspiro[3H-1-benzofuran-2,3'-pyrrolidine]
CID 170003759
6-ethyl-3-oxo-N-(5-phenylpyrazin-2-yl)spiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide
CID 22660753
6-bromospiro[2-benzofuran-3,4'-piperidine]-1-one;hydrochloride
CID 74889673
(3S)-3-(4-ethylphenyl)-3-fluoropyrrolidine
CID 124547145
(3R)-3-(4-ethylphenyl)-3-fluoropyrrolidine
CID 124547144
3-ethyl-N-(3-ethylphenyl)pyrrolidine-3-carboxamide
CID 55165902
(3-ethylphenyl)-(3-methylpyrrolidin-3-yl)methanone
CID 116570011
7-hydroxyspiro[2-benzofuran-3,3'-piperidine]-1-one
CID 84684567
(3R)-7-[2-(4-bromo-2-fluorophenyl)-2-hydroxybutanoyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one
CID 90826001

Frequently Asked Questions

What is the IUPAC name of 5-ethylspiro[2-benzofuran-3,3'-pyrrolidine]-1-one?
The IUPAC name of 5-ethylspiro[2-benzofuran-3,3'-pyrrolidine]-1-one (CID 178050346) is 5-ethylspiro[2-benzofuran-3,3'-pyrrolidine]-1-one.
What is the SMILES notation for 5-ethylspiro[2-benzofuran-3,3'-pyrrolidine]-1-one?
The canonical SMILES for 5-ethylspiro[2-benzofuran-3,3'-pyrrolidine]-1-one is CCc1ccc2c(c1)C1(CCNC1)OC2=O.
What is the InChIKey of 5-ethylspiro[2-benzofuran-3,3'-pyrrolidine]-1-one?
The InChIKey is BFJRVCXOZRUBTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-2-9-3-4-10-11(7-9)13(16-12(10)15)5-6-14-8-13/h3-4,7,14H,2,5-6,8H2,1H3.
What are the key properties of 5-ethylspiro[2-benzofuran-3,3'-pyrrolidine]-1-one?
5-ethylspiro[2-benzofuran-3,3'-pyrrolidine]-1-one has a molecular weight of 217.27 g/mol, XLogP of 1.61, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylspiro[2-benzofuran-3,3'-pyrrolidine]-1-one is sourced from PubChem (CID 178050346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).