2-(5-methoxy-1-benzofuran-3-yl)-1-pyrrolidin-1-ylethanone

C15H17NO3 — CID 110488784

IUPAC2-(5-methoxy-1-benzofuran-3-yl)-1-pyrrolidin-1-ylethanone
SMILESCOc1ccc2occ(CC(=O)N3CCCC3)c2c1
InChIInChI=1S/C15H17NO3/c1-18-12-4-5-14-13(9-12)11(10-19-14)8-15(17)16-6-2-3-7-16/h4-5,9-10H,2-3,6-8H2,1H3
InChIKeyJIQFUSMFVQNIBA-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.61
Rot. Bonds3

About 2-(5-methoxy-1-benzofuran-3-yl)-1-pyrrolidin-1-ylethanone

2-(5-methoxy-1-benzofuran-3-yl)-1-pyrrolidin-1-ylethanone (PubChem CID 110488784) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-(5-methoxy-1-benzofuran-3-yl)-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-(5-methoxy-1-benzofuran-3-yl)-1-pyrrolidin-1-ylethanone
PubChem CID110488784
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Name2-(5-methoxy-1-benzofuran-3-yl)-1-pyrrolidin-1-ylethanone
SMILESCOc1ccc2occ(CC(=O)N3CCCC3)c2c1
InChIInChI=1S/C15H17NO3/c1-18-12-4-5-14-13(9-12)11(10-19-14)8-15(17)16-6-2-3-7-16/h4-5,9-10H,2-3,6-8H2,1H3
InChIKeyJIQFUSMFVQNIBA-UHFFFAOYSA-N
XLogP2.61
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-methoxy-1-benzofuran-3-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 18860283
2-(5-methoxy-1-benzofuran-3-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 18860278
1-(4-benzhydrylpiperazin-1-yl)-2-(5-methoxy-1-benzofuran-3-yl)ethanone
CID 18860274
2-(6-methoxy-1-benzofuran-3-yl)-1-[(4R)-4-methylazepan-1-yl]ethanone
CID 95138656
2-(5-fluoro-1-benzofuran-3-yl)-1-piperidin-1-ylethanone
CID 110488716
2-(2,5-dimethoxyphenyl)-1-pyrrolidin-1-ylethanone
CID 30147939
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(6-methoxy-1-benzofuran-3-yl)ethanone
CID 38375787
4-hydroxy-1-[2-(6-methoxy-1-benzofuran-3-yl)acetyl]piperidine-4-carboxylic acid
CID 119251257
tert-butyl 4-[2-(6-methoxy-1-benzofuran-3-yl)acetyl]piperazine-1-carboxylate
CID 34019092
1-[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]-2-(6-methoxy-1-benzofuran-3-yl)ethanone
CID 55474754
2-(2,5-dimethoxyphenyl)-1-piperidin-1-ylethanone
CID 30147943
N-(2,5-dimethylpyrrol-1-yl)-2-(5-methoxy-1-benzofuran-3-yl)acetamide
CID 167531222

Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-1-benzofuran-3-yl)-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-(5-methoxy-1-benzofuran-3-yl)-1-pyrrolidin-1-ylethanone (CID 110488784) is 2-(5-methoxy-1-benzofuran-3-yl)-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-(5-methoxy-1-benzofuran-3-yl)-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-(5-methoxy-1-benzofuran-3-yl)-1-pyrrolidin-1-ylethanone is COc1ccc2occ(CC(=O)N3CCCC3)c2c1.
What is the InChIKey of 2-(5-methoxy-1-benzofuran-3-yl)-1-pyrrolidin-1-ylethanone?
The InChIKey is JIQFUSMFVQNIBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-18-12-4-5-14-13(9-12)11(10-19-14)8-15(17)16-6-2-3-7-16/h4-5,9-10H,2-3,6-8H2,1H3.
What are the key properties of 2-(5-methoxy-1-benzofuran-3-yl)-1-pyrrolidin-1-ylethanone?
2-(5-methoxy-1-benzofuran-3-yl)-1-pyrrolidin-1-ylethanone has a molecular weight of 259.31 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxy-1-benzofuran-3-yl)-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 110488784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).