2,3-dihydro-1-benzofuran-5-yl(pyrrolidin-1-yl)methanone

C13H15NO2 — CID 60739558

IUPAC2,3-dihydro-1-benzofuran-5-yl(pyrrolidin-1-yl)methanone
SMILESO=C(c1ccc2c(c1)CCO2)N1CCCC1
InChIInChI=1S/C13H15NO2/c15-13(14-6-1-2-7-14)11-3-4-12-10(9-11)5-8-16-12/h3-4,9H,1-2,5-8H2
InChIKeyQSHCPRFDPDKOFJ-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.86
Rot. Bonds1

About 2,3-dihydro-1-benzofuran-5-yl(pyrrolidin-1-yl)methanone

2,3-dihydro-1-benzofuran-5-yl(pyrrolidin-1-yl)methanone (PubChem CID 60739558) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 2,3-dihydro-1-benzofuran-5-yl(pyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name2,3-dihydro-1-benzofuran-5-yl(pyrrolidin-1-yl)methanone
PubChem CID60739558
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name2,3-dihydro-1-benzofuran-5-yl(pyrrolidin-1-yl)methanone
SMILESO=C(c1ccc2c(c1)CCO2)N1CCCC1
InChIInChI=1S/C13H15NO2/c15-13(14-6-1-2-7-14)11-3-4-12-10(9-11)5-8-16-12/h3-4,9H,1-2,5-8H2
InChIKeyQSHCPRFDPDKOFJ-UHFFFAOYSA-N
XLogP1.86
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-dihydro-2H-chromen-6-yl(piperidin-1-yl)methanone
CID 110693318
2,3-dihydro-1-benzofuran-5-yl-[4-(1-methylpyrrole-3-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110816782
2,3-dihydro-1-benzofuran-5-yl-[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]methanone
CID 37439719
4-(2,3-dihydro-1-benzofuran-5-carbonyl)piperazine-1-sulfonamide
CID 62199773
2,3-dihydro-1-benzofuran-5-yl-[4-(dimethylamino)piperidin-1-yl]methanone
CID 86985261
1-(3,4-dihydro-2H-chromene-6-carbonyl)piperidine-4-carboxamide
CID 110693355
2,3-dihydro-1-benzofuran-5-yl-[4-(3-methylbenzoyl)piperazin-1-yl]methanone
CID 110802210
[4-(2,3-dihydro-1-benzofuran-5-carbonyl)piperazin-1-yl]-(4-fluoro-3-methylphenyl)methanone
CID 110814917
[4-(aminomethyl)piperidin-1-yl]-(2,3-dihydro-1-benzofuran-5-yl)methanone
CID 55218662
2,3-dihydro-1,4-benzodioxin-6-yl(piperidin-1-yl)methanone
CID 2890
3,4-dihydro-2H-chromen-6-yl-(4-hydroxypiperidin-1-yl)methanone
CID 82485167
2-[1-(2,3-dihydro-1-benzofuran-5-carbonyl)piperidin-4-yl]acetic acid
CID 78979831

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzofuran-5-yl(pyrrolidin-1-yl)methanone?
The IUPAC name of 2,3-dihydro-1-benzofuran-5-yl(pyrrolidin-1-yl)methanone (CID 60739558) is 2,3-dihydro-1-benzofuran-5-yl(pyrrolidin-1-yl)methanone.
What is the SMILES notation for 2,3-dihydro-1-benzofuran-5-yl(pyrrolidin-1-yl)methanone?
The canonical SMILES for 2,3-dihydro-1-benzofuran-5-yl(pyrrolidin-1-yl)methanone is O=C(c1ccc2c(c1)CCO2)N1CCCC1.
What is the InChIKey of 2,3-dihydro-1-benzofuran-5-yl(pyrrolidin-1-yl)methanone?
The InChIKey is QSHCPRFDPDKOFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c15-13(14-6-1-2-7-14)11-3-4-12-10(9-11)5-8-16-12/h3-4,9H,1-2,5-8H2.
What are the key properties of 2,3-dihydro-1-benzofuran-5-yl(pyrrolidin-1-yl)methanone?
2,3-dihydro-1-benzofuran-5-yl(pyrrolidin-1-yl)methanone has a molecular weight of 217.27 g/mol, XLogP of 1.86, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1-benzofuran-5-yl(pyrrolidin-1-yl)methanone is sourced from PubChem (CID 60739558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).