[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-[2-(furan-2-yl)cyclopropyl]methanone

C20H21NO4 — CID 56820558

IUPAC[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-[2-(furan-2-yl)cyclopropyl]methanone
SMILESO=C(C1CC1c1ccco1)N1CCCC1c1ccc2c(c1)OCCO2
InChIInChI=1S/C20H21NO4/c22-20(15-12-14(15)17-4-2-8-23-17)21-7-1-3-16(21)13-5-6-18-19(11-13)25-10-9-24-18/h2,4-6,8,11,14-16H,1,3,7,9-10,12H2
InChIKeyJITXHHIYPURTLM-UHFFFAOYSA-N
MW339.39 g/mol
LogP3.52
Rot. Bonds3

About [2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-[2-(furan-2-yl)cyclopropyl]methanone

[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-[2-(furan-2-yl)cyclopropyl]methanone (PubChem CID 56820558) has the molecular formula C20H21NO4 and a molecular weight of 339.39 g/mol. Its IUPAC name is [2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-[2-(furan-2-yl)cyclopropyl]methanone.

Molecular Properties

Compound Name[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-[2-(furan-2-yl)cyclopropyl]methanone
PubChem CID56820558
Molecular FormulaC20H21NO4
Molecular Weight339.39 g/mol
Exact Mass339.15
IUPAC Name[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-[2-(furan-2-yl)cyclopropyl]methanone
SMILESO=C(C1CC1c1ccco1)N1CCCC1c1ccc2c(c1)OCCO2
InChIInChI=1S/C20H21NO4/c22-20(15-12-14(15)17-4-2-8-23-17)21-7-1-3-16(21)13-5-6-18-19(11-13)25-10-9-24-18/h2,4-6,8,11,14-16H,1,3,7,9-10,12H2
InChIKeyJITXHHIYPURTLM-UHFFFAOYSA-N
XLogP3.52
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3,4-dimethylphenyl)pyrrolidin-1-yl]-[2-(furan-2-yl)cyclopropyl]methanone
CID 86852013
[(1R,2S)-2-(furan-2-yl)cyclopropyl]-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 95352222
[(1R,2R)-2-(furan-2-yl)cyclopropyl]-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 124860048
[(1R,6R)-7-bicyclo[4.1.0]heptanyl]-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methanone
CID 100838850
[(1R,2S)-2-(furan-2-yl)cyclopropyl]-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
CID 95588049
[2-(furan-2-yl)cyclopropyl]-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
CID 56820515
(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(furan-2-ylmethyl)pyrrolidine-1-carboxamide
CID 94016978
(2R)-1-[(1S,2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropanecarbonyl]pyrrolidine-2-carboxylic acid
CID 125134182
(2S)-1-[(1S,2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropanecarbonyl]pyrrolidine-2-carboxylic acid
CID 125119978
1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]ethanone
CID 43033918
[(1R,2S)-2-(furan-2-yl)cyclopropyl]-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methanone
CID 94215126
cis-(1R,2S)-2-[(2S)-2-(1,3-benzodioxol-5-yl)pyrrolidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 125151627

Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-[2-(furan-2-yl)cyclopropyl]methanone?
The IUPAC name of [2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-[2-(furan-2-yl)cyclopropyl]methanone (CID 56820558) is [2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-[2-(furan-2-yl)cyclopropyl]methanone.
What is the SMILES notation for [2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-[2-(furan-2-yl)cyclopropyl]methanone?
The canonical SMILES for [2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-[2-(furan-2-yl)cyclopropyl]methanone is O=C(C1CC1c1ccco1)N1CCCC1c1ccc2c(c1)OCCO2.
What is the InChIKey of [2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-[2-(furan-2-yl)cyclopropyl]methanone?
The InChIKey is JITXHHIYPURTLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO4/c22-20(15-12-14(15)17-4-2-8-23-17)21-7-1-3-16(21)13-5-6-18-19(11-13)25-10-9-24-18/h2,4-6,8,11,14-16H,1,3,7,9-10,12H2.
What are the key properties of [2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-[2-(furan-2-yl)cyclopropyl]methanone?
[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-[2-(furan-2-yl)cyclopropyl]methanone has a molecular weight of 339.39 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-[2-(furan-2-yl)cyclopropyl]methanone is sourced from PubChem (CID 56820558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).