furan-2-yl-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone

C13H18N2O2 — CID 62947254

IUPACfuran-2-yl-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
SMILESO=C(c1ccco1)N1CCC(N2CCCC2)C1
InChIInChI=1S/C13H18N2O2/c16-13(12-4-3-9-17-12)15-8-5-11(10-15)14-6-1-2-7-14/h3-4,9,11H,1-2,5-8,10H2
InChIKeyKNRQTNMVSIFCPA-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.59
Rot. Bonds2

About furan-2-yl-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone

furan-2-yl-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone (PubChem CID 62947254) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is furan-2-yl-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Namefuran-2-yl-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
PubChem CID62947254
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Namefuran-2-yl-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
SMILESO=C(c1ccco1)N1CCC(N2CCCC2)C1
InChIInChI=1S/C13H18N2O2/c16-13(12-4-3-9-17-12)15-8-5-11(10-15)14-6-1-2-7-14/h3-4,9,11H,1-2,5-8,10H2
InChIKeyKNRQTNMVSIFCPA-UHFFFAOYSA-N
XLogP1.59
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(3S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)pyrrolidin-1-yl]-(furan-2-yl)methanone
CID 124711878
(3S)-1-(furan-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 94917226
(3-chloropiperidin-1-yl)-(furan-2-yl)methanone
CID 63392823
1-(furan-2-carbonyl)piperidine-3,4-dicarboxylic acid
CID 112568035
azepan-1-yl(furan-2-yl)methanone
CID 5200992
[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]-(furan-2-yl)methanone
CID 7026554
furan-2-yl-[4-(4-phenylpiperazin-1-yl)piperidin-1-yl]methanone
CID 754221
furan-2-yl-(3-phenylazepan-1-yl)methanone
CID 90608497
furan-2-yl-(3-propan-2-ylpyrrolidin-1-yl)methanone
CID 115686874
cyclobutyl-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]piperidin-1-yl]methanone
CID 113005207
(4-benzylphenyl)-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methanone
CID 25031425
furan-2-yl-[(3S)-3-phenylpiperidin-1-yl]methanone
CID 740547

Frequently Asked Questions

What is the IUPAC name of furan-2-yl-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone?
The IUPAC name of furan-2-yl-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone (CID 62947254) is furan-2-yl-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for furan-2-yl-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for furan-2-yl-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone is O=C(c1ccco1)N1CCC(N2CCCC2)C1.
What is the InChIKey of furan-2-yl-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone?
The InChIKey is KNRQTNMVSIFCPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c16-13(12-4-3-9-17-12)15-8-5-11(10-15)14-6-1-2-7-14/h3-4,9,11H,1-2,5-8,10H2.
What are the key properties of furan-2-yl-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone?
furan-2-yl-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone has a molecular weight of 234.30 g/mol, XLogP of 1.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 62947254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).