(5-chlorofuran-2-yl)-[(2S)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone

C15H21ClN2O2 — CID 95308437

IUPAC(5-chlorofuran-2-yl)-[(2S)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
SMILESCCN1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1ccc(Cl)o1
InChIInChI=1S/C15H21ClN2O2/c1-2-17-9-3-5-11(17)12-6-4-10-18(12)15(19)13-7-8-14(16)20-13/h7-8,11-12H,2-6,9-10H2,1H3/t11-,12+/m1/s1
InChIKeyRNBLFCHVTMMGDK-NEPJUHHUSA-N
MW296.80 g/mol
LogP3.02
Rot. Bonds3

About (5-chlorofuran-2-yl)-[(2S)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone

(5-chlorofuran-2-yl)-[(2S)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone (PubChem CID 95308437) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is (5-chlorofuran-2-yl)-[(2S)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(5-chlorofuran-2-yl)-[(2S)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
PubChem CID95308437
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Name(5-chlorofuran-2-yl)-[(2S)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
SMILESCCN1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1ccc(Cl)o1
InChIInChI=1S/C15H21ClN2O2/c1-2-17-9-3-5-11(17)12-6-4-10-18(12)15(19)13-7-8-14(16)20-13/h7-8,11-12H,2-6,9-10H2,1H3/t11-,12+/m1/s1
InChIKeyRNBLFCHVTMMGDK-NEPJUHHUSA-N
XLogP3.02
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (5-chlorofuran-2-yl)-[(2S)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone with MolForge

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Related Compounds

(5-chlorofuran-2-yl)-[(2S)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 95319796
(5-chlorofuran-2-yl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119651425
(5-chlorofuran-2-yl)-[2-(chloromethyl)piperidin-1-yl]methanone
CID 106689862
[(2S)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-(4-fluorophenyl)methanone
CID 95312023
(5-chlorofuran-2-yl)-[(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl]methanone
CID 51935584
[(2R)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 129447811
[(2S)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 95332333
(5-chlorofuran-2-yl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone
CID 102738161
(5-chlorofuran-2-yl)-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methanone
CID 30545695
1-[(2S)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 95290603
6-[(2S)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidine-1-carbonyl]-2-methylpyridazin-3-one
CID 95736213
(5-chlorofuran-2-yl)-(3-chloropiperidin-1-yl)methanone
CID 106689868

Frequently Asked Questions

What is the IUPAC name of (5-chlorofuran-2-yl)-[(2S)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone?
The IUPAC name of (5-chlorofuran-2-yl)-[(2S)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone (CID 95308437) is (5-chlorofuran-2-yl)-[(2S)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (5-chlorofuran-2-yl)-[(2S)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone?
The canonical SMILES for (5-chlorofuran-2-yl)-[(2S)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone is CCN1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1ccc(Cl)o1.
What is the InChIKey of (5-chlorofuran-2-yl)-[(2S)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone?
The InChIKey is RNBLFCHVTMMGDK-NEPJUHHUSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-2-17-9-3-5-11(17)12-6-4-10-18(12)15(19)13-7-8-14(16)20-13/h7-8,11-12H,2-6,9-10H2,1H3/t11-,12+/m1/s1.
What are the key properties of (5-chlorofuran-2-yl)-[(2S)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone?
(5-chlorofuran-2-yl)-[(2S)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone has a molecular weight of 296.80 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorofuran-2-yl)-[(2S)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 95308437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).