[(1R,2S)-2-(furan-2-yl)cyclopropyl]-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methanone

C16H17NO2S — CID 95588049

IUPAC[(1R,2S)-2-(furan-2-yl)cyclopropyl]-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
SMILESO=C([C@@H]1C[C@@H]1c1ccco1)N1CCC[C@@H]1c1ccsc1
InChIInChI=1S/C16H17NO2S/c18-16(13-9-12(13)15-4-2-7-19-15)17-6-1-3-14(17)11-5-8-20-10-11/h2,4-5,7-8,10,12-14H,1,3,6,9H2/t12-,13+,14+/m0/s1
InChIKeyHNAIMGKAOSKTJL-BFHYXJOUSA-N
MW287.38 g/mol
LogP3.81
Rot. Bonds3

About [(1R,2S)-2-(furan-2-yl)cyclopropyl]-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methanone

[(1R,2S)-2-(furan-2-yl)cyclopropyl]-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methanone (PubChem CID 95588049) has the molecular formula C16H17NO2S and a molecular weight of 287.38 g/mol. Its IUPAC name is [(1R,2S)-2-(furan-2-yl)cyclopropyl]-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[(1R,2S)-2-(furan-2-yl)cyclopropyl]-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
PubChem CID95588049
Molecular FormulaC16H17NO2S
Molecular Weight287.38 g/mol
Exact Mass287.10
IUPAC Name[(1R,2S)-2-(furan-2-yl)cyclopropyl]-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
SMILESO=C([C@@H]1C[C@@H]1c1ccco1)N1CCC[C@@H]1c1ccsc1
InChIInChI=1S/C16H17NO2S/c18-16(13-9-12(13)15-4-2-7-19-15)17-6-1-3-14(17)11-5-8-20-10-11/h2,4-5,7-8,10,12-14H,1,3,6,9H2/t12-,13+,14+/m0/s1
InChIKeyHNAIMGKAOSKTJL-BFHYXJOUSA-N
XLogP3.81
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [(1R,2S)-2-(furan-2-yl)cyclopropyl]-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methanone with MolForge

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Related Compounds

[2-(furan-2-yl)cyclopropyl]-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
CID 56820515
[(1R,2S)-2-(furan-2-yl)cyclopropyl]-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methanone
CID 94215126
[(1R,2S)-2-(furan-2-yl)cyclopropyl]-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 95352222
[2-(3,4-dimethylphenyl)pyrrolidin-1-yl]-[2-(furan-2-yl)cyclopropyl]methanone
CID 86852013
[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-[2-(furan-2-yl)cyclopropyl]methanone
CID 56820558
cis-(1R,2S)-2-[(2R)-2-thiophen-3-ylpyrrolidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 124675357
[(1R,2R)-2-(furan-2-yl)cyclopropyl]-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 124860048
cyclopropyl-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
CID 94117667
phenyl-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
CID 60770024
2,2-dimethyl-1-(2-thiophen-3-ylpyrrolidin-1-yl)propan-1-one
CID 64591656
trans-(1R,2R)-2-[(2R)-2-(furan-2-yl)pyrrolidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 99851614
aziridin-1-yl-[2-(furan-2-yl)cyclopropyl]methanone
CID 130606481

Frequently Asked Questions

What is the IUPAC name of [(1R,2S)-2-(furan-2-yl)cyclopropyl]-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methanone?
The IUPAC name of [(1R,2S)-2-(furan-2-yl)cyclopropyl]-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methanone (CID 95588049) is [(1R,2S)-2-(furan-2-yl)cyclopropyl]-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methanone.
What is the SMILES notation for [(1R,2S)-2-(furan-2-yl)cyclopropyl]-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methanone?
The canonical SMILES for [(1R,2S)-2-(furan-2-yl)cyclopropyl]-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methanone is O=C([C@@H]1C[C@@H]1c1ccco1)N1CCC[C@@H]1c1ccsc1.
What is the InChIKey of [(1R,2S)-2-(furan-2-yl)cyclopropyl]-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methanone?
The InChIKey is HNAIMGKAOSKTJL-BFHYXJOUSA-N. The full InChI is InChI=1S/C16H17NO2S/c18-16(13-9-12(13)15-4-2-7-19-15)17-6-1-3-14(17)11-5-8-20-10-11/h2,4-5,7-8,10,12-14H,1,3,6,9H2/t12-,13+,14+/m0/s1.
What are the key properties of [(1R,2S)-2-(furan-2-yl)cyclopropyl]-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methanone?
[(1R,2S)-2-(furan-2-yl)cyclopropyl]-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methanone has a molecular weight of 287.38 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S)-2-(furan-2-yl)cyclopropyl]-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 95588049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).