2-[[3-(furan-2-carbonyl)-1-benzofuran-5-yl]oxy]-1-pyrrolidin-1-ylethanone

C19H17NO5 — CID 91938983

IUPAC2-[[3-(furan-2-carbonyl)-1-benzofuran-5-yl]oxy]-1-pyrrolidin-1-ylethanone
SMILESO=C(c1ccco1)c1coc2ccc(OCC(=O)N3CCCC3)cc12
InChIInChI=1S/C19H17NO5/c21-18(20-7-1-2-8-20)12-24-13-5-6-16-14(10-13)15(11-25-16)19(22)17-4-3-9-23-17/h3-6,9-11H,1-2,7-8,12H2
InChIKeyAXPVSUWPPTZOPK-UHFFFAOYSA-N
MW339.35 g/mol
LogP3.26
Rot. Bonds5

About 2-[[3-(furan-2-carbonyl)-1-benzofuran-5-yl]oxy]-1-pyrrolidin-1-ylethanone

2-[[3-(furan-2-carbonyl)-1-benzofuran-5-yl]oxy]-1-pyrrolidin-1-ylethanone (PubChem CID 91938983) has the molecular formula C19H17NO5 and a molecular weight of 339.35 g/mol. Its IUPAC name is 2-[[3-(furan-2-carbonyl)-1-benzofuran-5-yl]oxy]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[[3-(furan-2-carbonyl)-1-benzofuran-5-yl]oxy]-1-pyrrolidin-1-ylethanone
PubChem CID91938983
Molecular FormulaC19H17NO5
Molecular Weight339.35 g/mol
Exact Mass339.11
IUPAC Name2-[[3-(furan-2-carbonyl)-1-benzofuran-5-yl]oxy]-1-pyrrolidin-1-ylethanone
SMILESO=C(c1ccco1)c1coc2ccc(OCC(=O)N3CCCC3)cc12
InChIInChI=1S/C19H17NO5/c21-18(20-7-1-2-8-20)12-24-13-5-6-16-14(10-13)15(11-25-16)19(22)17-4-3-9-23-17/h3-6,9-11H,1-2,7-8,12H2
InChIKeyAXPVSUWPPTZOPK-UHFFFAOYSA-N
XLogP3.26
TPSA72.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[3-(furan-2-carbonyl)-1-benzofuran-5-yl]oxy]-1-piperidin-1-ylethanone
CID 91938984
N-[4-[2-[[3-(furan-2-carbonyl)-1-benzofuran-5-yl]oxy]acetyl]phenyl]acetamide
CID 90489438
[5-[(2,4-dichlorophenyl)methoxy]-1-benzofuran-3-yl]-(furan-2-yl)methanone
CID 91939012
N-[(3S)-1,1-dioxothiolan-3-yl]-2-[[3-(furan-2-carbonyl)-1-benzofuran-5-yl]oxy]-N-phenylacetamide
CID 99804895
7-[2-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-2-oxoethoxy]chromen-2-one
CID 171387315
[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetate
CID 31155237
2-(5-methoxy-1-benzofuran-3-yl)-1-pyrrolidin-1-ylethanone
CID 110488784
2-[4-(hydroxymethyl)phenoxy]-1-pyrrolidin-1-ylethanone
CID 28561501
2-(1,3-benzodioxol-5-yloxy)-1-pyrrolidin-1-ylethanone
CID 6458739
1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[[3-(4-methylsulfanylbenzoyl)-1-benzofuran-5-yl]oxy]ethanone
CID 90489398
2-[4-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenoxy]phenoxy]-1-pyrrolidin-1-ylethanone
CID 178065020
2-[3-(2-aminopropyl)phenoxy]-1-(azepan-1-yl)ethanone
CID 60906670

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(furan-2-carbonyl)-1-benzofuran-5-yl]oxy]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[[3-(furan-2-carbonyl)-1-benzofuran-5-yl]oxy]-1-pyrrolidin-1-ylethanone (CID 91938983) is 2-[[3-(furan-2-carbonyl)-1-benzofuran-5-yl]oxy]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[[3-(furan-2-carbonyl)-1-benzofuran-5-yl]oxy]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[[3-(furan-2-carbonyl)-1-benzofuran-5-yl]oxy]-1-pyrrolidin-1-ylethanone is O=C(c1ccco1)c1coc2ccc(OCC(=O)N3CCCC3)cc12.
What is the InChIKey of 2-[[3-(furan-2-carbonyl)-1-benzofuran-5-yl]oxy]-1-pyrrolidin-1-ylethanone?
The InChIKey is AXPVSUWPPTZOPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO5/c21-18(20-7-1-2-8-20)12-24-13-5-6-16-14(10-13)15(11-25-16)19(22)17-4-3-9-23-17/h3-6,9-11H,1-2,7-8,12H2.
What are the key properties of 2-[[3-(furan-2-carbonyl)-1-benzofuran-5-yl]oxy]-1-pyrrolidin-1-ylethanone?
2-[[3-(furan-2-carbonyl)-1-benzofuran-5-yl]oxy]-1-pyrrolidin-1-ylethanone has a molecular weight of 339.35 g/mol, XLogP of 3.26, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(furan-2-carbonyl)-1-benzofuran-5-yl]oxy]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 91938983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).